SCHEMBL4367756

SCHEMBL4367756

Cc1ccc(C=O)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 9/20 0.40
ALDH1A3 P47895 3/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH5A1 P51649 2/20 0.39
ABAT P80404 2/20 0.39
AOX1 Q06278 2/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SHBG P04278 1/20 0.37
FDPS P14324 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL14270671 0.85 HPGD (0.43) KDM4ECYP2A6ALDH1A1ALDH1A3HPGD
SCHEMBL12216403 0.85 HPGD (0.35) KDM4ECYP2A6ALDH1A1HPGDAOX1
SCHEMBL14709469 0.84 ALDH1A1 (0.43) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL7125837 0.83 CYP2A6 (0.44) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL2601956 0.81 KDM4E (0.46) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL26048868 0.80 TDP1 (0.41) PTGS2ALDH1A1HPGDTDP1SHBG
SCHEMBL13644404 0.80 ALDH1A1 (0.43) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL15659545 0.80 CYP2A6 (0.41) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL13644405 0.80 ALDH1A1 (0.43) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL16322814 0.79 SRC (0.51) KDM4EPTGS2RAB9ACYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
US-9562025-B2 Compounds with (1E, 6E)-1,7-Bis-(3,4-dimethoxyphenyl)-4-4-distributed-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ALLIANZ PHARMASCIENCE LTD. (TW) 2017-02-07 US disclosed
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Annji Pharmaceutical Co., Ltd. (TW) 2016-09-15 US disclosed
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof Annji Pharmaceutical Co., Ltd. (TW) 2015-07-09 US disclosed
US-9000222-B2 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ANDROSCIENCE CORPORATION (US) 2015-04-07 US disclosed
US-8575221-B2 Derivatives of dimethylcurcumin CONCERT PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20120107886-A1 Lignin Oxidation and Products Thereof STRATEGIC ENZYME APPLICATIONS, INC. (US) 2012-05-03 US disclosed
US-20110257271-A1 DERIVATIVES OF DIMETHYLCURCUMIN CONCERT PHARMACEUTICALS, INC. 2011-10-20 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-20110257271-A1 DERIVATIVES OF DIMETHYLCURCUMIN UROD, UGT1A1, UGT1A3 KDM4E 1634/4885PTGS2 1534/4885RAB9A 3095/4885
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 KDM4E 1845/4885PTGS2 2092/4885RAB9A 2946/4885
US-20120107886-A1 Lignin Oxidation and Products Thereof LOX, LPO, NOX4 KDM4E 512/4885PTGS2 1343/4885RAB9A 4258/4885
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof AR, BRCA1, CYP17A1 KDM4E 1922/4885PTGS2 1314/4885RAB9A 1893/4885
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF AR, CYP17A1, SRD5A1 KDM4E 848/4885PTGS2 1169/4885RAB9A 3037/4885

“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.