SCHEMBL22965748

SCHEMBL22965748

CC(C)c1ccc(Cc2ccc3cnoc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.37
HTR1D P28221 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
COPS5 Q92905 1/20 0.35
IDO1 P14902 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PNP P00491 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
F2 P00734 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
SCHEMBL25455392 0.85 PLG (0.31) HTR1BALDH1A1ALOX15
SCHEMBL24439367 0.83 NPC1 (0.38) NPC1RAB9ASLC5A2ALDH1A1KDM4E
SCHEMBL23987189 0.83 CYP1A2 (0.35) NPC1RAB9ASLC5A1SLC5A2ALDH1A1
SCHEMBL83971 0.82 NPC1 (0.37) NPC1RAB9AALDH1A1ALOX15TP53
SCHEMBL23978603 0.80 PLK1 (0.36) HTR1DNPC1RAB9ASLC5A1SLC5A2
SCHEMBL8253214 0.78 HTR1B (0.40) HTR1BRAB9A
SCHEMBL91331 0.75 CYP1A2 (0.44) NPC1RAB9AALDH1A1ALOX15TP53
SCHEMBL21012760 0.74 ESR1 (0.39) NPC1RAB9ACOPS5IDO1ALDH1A1
SCHEMBL14072510 0.73 ALDH1A1 (0.40) NPC1RAB9AALDH1A1ALOX15TP53
SCHEMBL8227728 0.72 CNR1 (0.39) NPC1RAB9AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399692-A1 NUCLEIC ACID DELIVERY SCAFFOLDS FIRST-CITIZENS BANK & TRUST COMPANY 2023-12-14 US disclosed
US-20230399692-A1 NUCLEIC ACID DELIVERY SCAFFOLDS FIRST-CITIZENS BANK & TRUST COMPANY 2023-12-14 US disclosed
US-11840523-B2 IRE1α inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-12-12 US disclosed
US-11795505-B2 Nucleic acid delivery scaffolds Singular Genomics Systems, Inc. (US) 2023-10-24 US disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-20230287204-A1 OXIDIZED POLYISOBUTENE COMPOUNDS AND METHODS OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 US disclosed
US-20230287491-A1 NUCLEIC ACID DELIVERY SCAFFOLDS FIRST-CITIZENS BANK & TRUST COMPANY 2023-09-14 US disclosed
US-20230287491-A1 NUCLEIC ACID DELIVERY SCAFFOLDS FIRST-CITIZENS BANK & TRUST COMPANY 2023-09-14 US disclosed
US-20230255934-A1 NURR1 RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-17 US disclosed
US-20230242586-A1 RAS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20230135758-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-05-04 US disclosed
US-20230135758-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-05-04 US disclosed
US-20230127630-A1 IGF2BP2 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-27 US disclosed
US-20230127630-A1 IGF2BP2 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-27 US disclosed
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
US-20230066830-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS UNIV VIRGINIA COMMONWEALTH (US) 2023-03-02 US disclosed
US-20220396834-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-12-15 US disclosed
US-11236387-B2 Compositions and methods for nucleic acid sequencing Singular Genomics Systems, Inc. (US) 2022-02-01 US disclosed
US-20210040555-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2021-02-11 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 (9 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 HTR1B 1103/4885HTR1D 1578/4885NPC1 2492/4885
US-20230242586-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS HTR1B 4820/4885HTR1D 4845/4885NPC1 2648/4885
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS AS3MT, SCLY, NASP HTR1B 4052/4885HTR1D 4423/4885NPC1 477/4885
US-11840523-B2 IRE1α inhibitors and uses thereof XBP1, ERN2, ERN1 HTR1B 3499/4885HTR1D 3666/4885NPC1 958/4885
US-20230066830-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER STEM CELLS SDCBP, BAX, MCL1 HTR1B 3787/4885HTR1D 4395/4885NPC1 901/4885
US-20230255934-A1 NURR1 RECEPTOR MODULATORS AND USES THEREOF NCOR1, NCOR2, NR4A2 HTR1B 1341/4885HTR1D 1675/4885NPC1 949/4885
US-20230114304-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF LIPA, LCAT, SGMS2 HTR1B 4503/4885HTR1D 4696/4885NPC1 42/4885
US-20230135758-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF EEF1A1, EEF1B2, EEF1G HTR1B 4254/4885HTR1D 4124/4885NPC1 2717/4885
US-20230127630-A1 IGF2BP2 INHIBITORS AND USES THEREOF IGF2BP2, IGF2BP1, IGFBP2 HTR1B 2953/4885HTR1D 4477/4885NPC1 3164/4885

“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.