SCHEMBL562407

SCHEMBL562407

CCC(C(=O)O)C1c2ccccc2-c2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
EPHX2 P34913 1/20 0.37
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PPIA P62937 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
PPARA Q07869 1/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TYR P14679 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL11119120 0.73 CYP1A2 (0.49) CYP1A2TSHRLMNAPOLBKMT2A
SCHEMBL5275777 0.72 CYP1A2 (1.00) CYP1A2TSHRPOLBKMT2A
SCHEMBL30483907 0.72 CYP1A2 (1.00) CYP1A2TSHRPOLBKMT2A
SCHEMBL28637793 0.72 CYP1A2 (0.51) CYP1A2TSHRHSD17B10POLBKMT2A
SCHEMBL13084394 0.72 EPHX2 (0.47) CYP1A2TSHREPHX2PPIA
SCHEMBL11793574 0.72 L3MBTL1 (0.51) CYP1A2TSHRLMNACYP2C9KMT2A
SCHEMBL29617347 0.72 CYP1A2 (0.51) CYP1A2TSHRHSD17B10POLBKMT2A
SCHEMBL29617349 0.72 CYP1A2 (0.51) CYP1A2TSHRHSD17B10POLBKMT2A
SCHEMBL2524802 0.71 IDO1 (0.34) HSD17B10CYP2C9ESR1ESR2KMT2A
SCHEMBL26017054 0.69 CYP1A2 (0.78) CYP1A2TSHRHSD17B10POLBPPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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 (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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 CYP1A2 3335/4885TSHR 1637/4885EPHX2 2791/4885

“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.