SCHEMBL18737239

SCHEMBL18737239

CCCC(C)(C)c1ccc2cc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 3/20 0.42
CMA1 P23946 1/20 0.42
TYR P14679 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ENPP2 Q13822 2/20 0.39
CYP2A6 P11509 1/20 0.39
MAOA P21397 2/20 0.38
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.37
CNR2 P34972 3/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL10267758 0.86 MAPK1 (0.44) MEN1POLBMAPK1KMT2AAHR
SCHEMBL13930945 0.79 MEN1 (0.44) MEN1POLBMAPK1KMT2AAHR
SCHEMBL84519 0.78 AHR (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL6089775 0.75 TYR (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL19513331 0.74 METAP2 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL26823824 0.73 BRD4 (0.39)
SCHEMBL23815001 0.72 AHR (0.44) MAPK1AHRCYP2A6MAOACHRNB4
SCHEMBL21110227 0.72 MEN1 (0.44) MEN1POLBMAPK1KMT2AAHR
SCHEMBL19646434 0.72 NOTUM (0.35) MAPK1ESR1CNR2CNR1
SCHEMBL19006218 0.72 MEN1 (0.39) MEN1POLBMAPK1KMT2AAHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 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 (4 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-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 MEN1 3585/4885POLB 1807/4885MAPK1 4066/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MEN1 3174/4885POLB 1191/4885MAPK1 234/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MEN1 3174/4885POLB 1191/4885MAPK1 234/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MEN1 606/4885POLB 3726/4885MAPK1 4884/4885

“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.