SCHEMBL8040319

SCHEMBL8040319

C=CCN(CC)C(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TSHR P16473 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
MAPT P10636 1/20 0.36
PSMB5 P28074 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL18458050 0.92 ALDH1A1 (0.39) ALDH1A1ZDHHC20ZDHHC2TSHRSLC6A2
SCHEMBL19636115 0.86 ZDHHC20 (0.40) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL14880 0.85
SCHEMBL49389 0.85 ALDH1A1 (0.52) ALDH1A1ZDHHC20ZDHHC2TSHRMAPT
SCHEMBL16098956 0.84 ZDHHC20 (0.39) ALDH1A1ZDHHC20ZDHHC2TSHRSLC6A2
Acrylic Acid SCHEMBL11417537 0.84 LMNA (0.48) ALDH1A1ZDHHC20ZDHHC2TSHRSLC6A2
Ammonia Solution, Strong SCHEMBL28481040 0.83 ZDHHC20 (0.43) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL6886508 0.83 ZDHHC20 (0.45) ALDH1A1ZDHHC20ZDHHC2TSHRSLC6A2
SCHEMBL2004205 0.81 ZDHHC20 (0.46) ALDH1A1ZDHHC20ZDHHC2TSHRPSMB5
SCHEMBL3840012 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 EP disclosed
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
EP-3653194-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS Dentsply DeTrey GmbH (DE) 2020-05-20 EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 US disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 WO disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009082697-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO disclosed
WO-2009051822-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-04-23 WO 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 (5 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-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885ZDHHC20 690/4885ZDHHC2 886/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC ALDH1A1 3719/4885ZDHHC20 1626/4885ZDHHC2 2316/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR ALDH1A1 3496/4885ZDHHC20 2162/4885ZDHHC2 2028/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885ZDHHC20 958/4885ZDHHC2 905/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885ZDHHC20 1528/4885ZDHHC2 816/4885

“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.