SCHEMBL6283366

SCHEMBL6283366

C=CC(=O)NCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
MLYCD O95822 2/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 3/20 0.35
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4344395 0.86 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL12731248 0.85 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL24119207 0.84 ZDHHC20 (0.65) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL29386805 0.84 ZDHHC20 (0.59) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL8766172 0.83 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL635849 0.83 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL24932662 0.83 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL27495249 0.83 ZDHHC20 (0.62) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL15338435 0.82 SIGMAR1 (0.42) ZDHHC20ZDHHC2ALDH1A1SIGMAR1MLYCD
Hydrochloric Acid SCHEMBL406600 0.82 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-20230132202-A1 Polymeric Binder and High Molecular Weight Polymer Antifouling Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-04-27 US disclosed
US-20230132202-A1 Polymeric Binder and High Molecular Weight Polymer Antifouling Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-04-27 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-6932964-B1 Copolymer of a tert-butyl acrylate and/or an N-tert-butylacrylamide, at least acrylic mono- and/or dicarboxylic acid, and at least one ethoxylated acrylic compound; high propellant gas compatibility and no \"flaking\" effect; hair sprays BASF AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20030147929-A1 Contains a water-dispersible copolymer containing units of a tert-butyl acrylate or tert-butyl acrylamide of given formula, an N-vinylamide or N-vinyllactam, an unsaturated cationic amine, and optional acrylic type monomer; hair spray BASF SE (DE) 2003-08-07 US disclosed
US-6329472-B1 COSMETIC PREPARATIONS, SUCH AS HAIR-SETTING FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 ZDHHC20 1684/4885ZDHHC2 2178/4885TSHR 4515/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885TSHR 4752/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 ZDHHC20 1684/4885ZDHHC2 2178/4885TSHR 4515/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ZDHHC20 1457/4885ZDHHC2 1872/4885TSHR 4635/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ZDHHC20 1003/4885ZDHHC2 1199/4885TSHR 3523/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885TSHR 4752/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885TSHR 4633/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ZDHHC20 958/4885ZDHHC2 905/4885TSHR 2837/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ZDHHC20 1528/4885ZDHHC2 816/4885TSHR 4752/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ZDHHC20 690/4885ZDHHC2 886/4885TSHR 4633/4885
US-20030147929-A1 Contains a water-dispersible copolymer containing units of a tert-butyl acrylate or tert-butyl acrylamide of given formula, an N-vinylamide or N-vinyllactam, an unsaturated cationic amine, and optional acrylic type monomer; hair spray HVCN1, NR2C2, ARCN1 ZDHHC20 1361/4885ZDHHC2 563/4885TSHR 1753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.