SCHEMBL3590323

SCHEMBL3590323

Cc1cc(C(=O)Cl)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
VDR P11473 1/20 0.44
POLB P06746 2/20 0.41
AR P10275 1/20 0.41
ESR1 P03372 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL3015438 0.87 MAPT (0.49) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL24933575 0.85 KMT2A (0.52) MAPTLMNACYP1A2CYP2C9HIF1A
SCHEMBL1495913 0.85 MAPT (0.47) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL22777216 0.83 CYP1A2 (0.64) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL12541603 0.82 MEN1 (0.52) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL3016429 0.81 VDR (0.47) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL22396845 0.80 NOTUM (0.48) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL28979210 0.80 AAK1 (0.56) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL1549647 0.80 VDR (0.46) KDM4EMAPTLMNAKCNH2CYP1A2
SCHEMBL1549625 0.79 VDR (0.45) KDM4EMAPTLMNAKCNH2CYP1A2

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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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 (1 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA KDM4E 2668/4885MAPT 4061/4885LMNA 3605/4885

“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.