SCHEMBL10163053

SCHEMBL10163053

CCc1ccc(C(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
PNMT P11086 1/20 0.41
PDE2A O00408 3/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A1 P68400 2/20 0.37
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 1/20 0.35

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
SCHEMBL15849014 0.85 CYP3A4 (0.48) PNMTPDE2ALMNATP53HTT
SCHEMBL18075635 0.84 PDE2A (0.51) CYP1A2CYP2A6PNMTPDE2ALMNA
SCHEMBL18103191 0.84 PNMT (0.39) CYP1A2CYP2A6PNMTPDE2ALMNA
SCHEMBL24685760 0.84 PNMT (0.39) CYP1A2CYP2A6PNMTPDE2ALMNA
SCHEMBL21180447 0.84 LMNA (0.60) CYP1A2CYP2A6PNMTPDE2ALMNA
SCHEMBL14948883 0.83 CYP1A2 (0.42) CYP1A2CYP2A6PNMTLMNATP53
SCHEMBL17540835 0.82 CSNK2A1 (0.56) PNMTLMNATP53HTTCSNK2A1
SCHEMBL16955282 0.82 THRB (0.47) PNMTPDE2ALMNATP53HTT
SCHEMBL15617289 0.82 PNMT (0.40) CYP1A2PNMTPDE2ALMNATP53
SCHEMBL11865637 0.82 PNMT (0.48) PNMTLMNATP53HTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 US disclosed
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-10-31 US disclosed
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-07-04 US disclosed
WO-2022208391-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER INC, (US) 2022-10-06 WO disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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 (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-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 CYP1A2 654/4885CYP2A6 2084/4885PNMT 1874/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 CYP1A2 12/4885CYP2A6 41/4885PNMT 2601/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 CYP1A2 3521/4885CYP2A6 2842/4885PNMT 1844/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 CYP1A2 486/4885CYP2A6 506/4885PNMT 3421/4885
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 CYP1A2 654/4885CYP2A6 2084/4885PNMT 1874/4885

“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.