SCHEMBL3670700

SCHEMBL3670700

COc1ccccc1-c1cccc(C(C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.65
AKR1C2 P52895 11/20 0.65
CTSA P10619 2/20 0.54
PTGS1 P23219 5/20 0.52
AKR1C4 P17516 2/20 0.51
AKR1C1 Q04828 2/20 0.51
PTGS2 P35354 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
FABP2 P12104 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2C P28335 1/20 0.50
DRD3 P35462 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL31689002 1.00 AKR1C3 (0.65) AKR1C3AKR1C2CTSAPTGS1AKR1C4
SCHEMBL3677263 0.84 AKR1C3 (0.66) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL27794248 0.83 PTGER1 (0.66) PTGS1MAPTLMNACYP2C9
SCHEMBL7330651 0.82 AKR1C3 (0.71) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL13913537 0.82 HDAC4 (0.57) CTSACYP1A2CYP2C9CYP2C19
SCHEMBL29430223 0.81 CASR (0.50) AKR1C3AKR1C2CTSACYP1A2CYP2C9
SCHEMBL29627562 0.81 AKR1C3 (0.55) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL31261540 0.80 PTGS2 (0.69) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL27403095 0.80 PTGS2 (0.69) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL20490449 0.79 HDAC4 (0.54) CTSAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 AKR1C3 809/4885AKR1C2 844/4885CTSA 686/4885

“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.