SCHEMBL3200958

SCHEMBL3200958

O=C(O)CCNC(=O)Cc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
ATM Q13315 1/20 0.54
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
TSHR P16473 3/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MPO P05164 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13593329 0.87 ATM (0.60) AKR1B1ATMCA12CA2TSHR
SCHEMBL2804428 0.85 ATM (0.53) ATMTSHRTAAR1GAAHPGD
SCHEMBL29415449 0.85 ATM (0.53) ATMTSHRTAAR1GAAHPGD
SCHEMBL13602497 0.83 ATM (0.51) ATMTSHRTAAR1GAAHPGD
SCHEMBL6427246 0.82 AKR1B1 (0.62) AKR1B1CA12CA2TSHRCYP2D6
Hydrochloric Acid SCHEMBL327794 0.81 AKR1B1 (0.52) AKR1B1ATMCA12CA2TSHR
SCHEMBL8277252 0.81 ATM (0.49) ATMCA12CA2TSHRTAAR1
SCHEMBL13689911 0.81 ATM (0.49) ATMTSHRTAAR1GAAHPGD
SCHEMBL3200193 0.81 CA12 (0.69) AKR1B1CA12CA2TSHRCYP2D6
SCHEMBL3207835 0.80 ATM (0.80) AKR1B1ATMTSHRGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 AKR1B1 1775/4885ATM 416/4885CA12 4689/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 AKR1B1 807/4885ATM 104/4885CA12 1320/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 AKR1B1 1741/4885ATM 353/4885CA12 4676/4885

“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.