SCHEMBL972675

SCHEMBL972675

Cc1cccc(C(=O)O)c1Oc1ccc(CBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LPAR1 Q92633 7/20 0.50
LPAR5 Q9H1C0 6/20 0.50
FFAR1 O14842 2/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CRHR2 Q13324 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MYC P01106 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL27315699 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL6151978 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL11138432 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL27974766 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL8782258 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL3628413 0.76 SMN1; SMN2 (0.61) ALDH1A1KDM4EHPGDPOLBTP53
SCHEMBL707627 0.76 CTNNB1 (0.51) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL20346750 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10LPAR1
SCHEMBL8972334 0.75 MYC (0.50) ALDH1A1KDM4EHPGDHSD17B10FFAR1
SCHEMBL30675634 0.72 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10POLB

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
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 ALDH1A1 4013/4885KDM4E 2929/4885HPGD 236/4885

“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.