SCHEMBL14768539

SCHEMBL14768539

Cc1cccc(O)c1OBO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34

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
SCHEMBL3437802 0.87 ALDH1A1 (0.42) TRPA1ATMALDH1A1SMN1; SMN2CA1
SCHEMBL11288555 0.78 TRPA1 (0.54) TRPA1ATMALDH1A1SMN1; SMN2CA1
SCHEMBL20315134 0.78 ACHE (0.43) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL18017367 0.76 SMN1; SMN2 (0.42) ATMALDH1A1SMN1; SMN2CA1CA2
SCHEMBL557811 0.76 CA1 (0.53) TRPA1ATMALDH1A1SMN1; SMN2CA1
SCHEMBL25480770 0.75 TSHR (0.46) ALDH1A1SMN1; SMN2CA1CA2HPGD
SCHEMBL20315139 0.75 CA2 (0.33) ALDH1A1SMN1; SMN2CA1CA2HPGD
SCHEMBL28553341 0.74 CA1 (0.52) TRPA1ATMALDH1A1SMN1; SMN2CA1
SCHEMBL15183449 0.74 TRPA1 (0.50) TRPA1ATMALDH1A1SMN1; SMN2CA1
SCHEMBL15183452 0.71 TRPA1 (0.46) TRPA1ATMALDH1A1CA1CA2

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-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 TRPA1 2588/4885ATM 2479/4885ALDH1A1 1104/4885

“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.