SCHEMBL13347380

SCHEMBL13347380

O=Cc1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.86
▸ FBP1 P09467 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ TRIM24 O15164 1/20 0.52
▸ TRIM33 Q9UPN9 1/20 0.52
▸ UNG P13051 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RARA P10276 1/20 0.49
▸ RARB P10826 1/20 0.49
▸ RARG P13631 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
Hydrochloric Acid SCHEMBL10704035 0.98 ALDH1A1 (0.83) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL63361 0.93 ALDH1A1 (1.00) ALDH1A1FBP1TP53TSHRKMT2A
Terephthalic Acid SCHEMBL11068404 0.93 ALDH1A1 (1.00) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL8594185 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL28234323 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL8161786 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
Hydrochloric Acid SCHEMBL740726 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL29693000 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
SCHEMBL28508718 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A
Ammonia Solution, Strong SCHEMBL10546475 0.91 ALDH1A1 (0.95) ALDH1A1FBP1TP53TSHRKMT2A

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-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 — — US disclosed
US-20100112545-A1 TRANS-1,2-DIPHENYLETHLENE DERIVATIVES AND NANOSENSORS MADE THEREFROM DEPARTMENT OF ENERGY 2010-05-06 — — US disclosed
US-20100112545-A1 TRANS-1,2-DIPHENYLETHLENE DERIVATIVES AND NANOSENSORS MADE THEREFROM DEPARTMENT OF ENERGY 2010-05-06 — — US disclosed
WO-2009011674-A1 TRANS-1,2-DIPHENYLETHYLENE DERIVATIVES AND NANOSENSORS MADE THEREFROM WESTERN MICHIGAN UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-22 — — 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 (2 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-20100112545-A1 TRANS-1,2-DIPHENYLETHLENE DERIVATIVES AND NANOSENSORS MADE THEREFROM EPCAM, L1CAM, OR51E2 ALDH1A1 1072/4885FBP1 2700/4885TP53 646/4885
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 ALDH1A1 2205/4885FBP1 429/4885TP53 4728/4885

“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.

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