SCHEMBL3205671

SCHEMBL3205671

COc1ccccc1CC(=O)NCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.72
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.57
BCHE P06276 1/20 0.56
CHRM2 P08172 1/20 0.56
ACHE P22303 1/20 0.56
TSHR P16473 2/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL3208001 0.87 TAAR1 (0.59) TAAR1BCHECHRM2ACHETSHR
SCHEMBL6876231 0.87 TAAR1 (0.67) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL3202475 0.86 TSHR (0.56) TAAR1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL3210838 0.82 CHRM2 (0.63) MEN1KMT2ANPSR1BCHECHRM2
SCHEMBL28465013 0.82 NPC1 (0.81) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL22170167 0.81 TAAR1 (0.67) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL13602497 0.80 ATM (0.51) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL3993600 0.80 NPSR1 (0.79) TAAR1NPSR1BCHECHRM2ACHE
SCHEMBL3200958 0.80 AKR1B1 (0.58) TAAR1NPSR1HSD17B10TSHRHPGD
SCHEMBL7398072 0.79 HSD17B10 (0.80) NPC1RAB9ANPSR1ALDH1A1HSD17B10

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 TAAR1 1466/4885MEN1 3690/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TAAR1 3484/4885MEN1 1767/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TAAR1 1535/4885MEN1 3470/4885KMT2A 4416/4885

“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.