SCHEMBL4130869

SCHEMBL4130869

COc1ccc2cc(CCC(=O)O)nnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGDS O60760 3/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL31403537 0.76 HPGDS (0.55) POLBHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL1403565 0.73 CYP1A2 (0.77) POLBHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL5223978 0.73 GAA (0.50) POLBHPGDHSD17B10ALDH1A1PTGS1
SCHEMBL7821052 0.72 LTB4R (0.51) POLBHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL2830882 0.72 NOS1 (0.53) POLBHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL27581989 0.71 KDM4E (0.64) POLBHPGDHSD17B10CYP1A2ALDH1A1
SCHEMBL1641522 0.71 HPGDS (0.58) HPGDSKDM4E
SCHEMBL4130865 0.70 AKR1C3 (0.56) POLBHPGDCYP1A2ALDH1A1PTGS1
SCHEMBL29703899 0.70 HDAC6 (0.63) POLBHPGDHSD17B10ALDH1A1PTGS1
SCHEMBL12924822 0.70 FFAR1 (0.53) POLBHPGDHSD17B10CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 POLB 870/4885HPGD 3746/4885HSD17B10 868/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 POLB 870/4885HPGD 3746/4885HSD17B10 868/4885

“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.