SCHEMBL910751

SCHEMBL910751

COc1cc(C[C]=O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.60
FOS P01100 1/20 0.57
TTR P02766 1/20 0.57
JUN P05412 1/20 0.57
NR3C1 P04150 1/20 0.57
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
ADRB2 P07550 2/20 0.56
ALOX5 P09917 2/20 0.56
CYP3A4 P08684 2/20 0.56
PTPN1 P18031 1/20 0.56
AR P10275 1/20 0.56

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
SCHEMBL910732 0.86 CYP1A2 (0.62) TSHRLMNAALDH1A1GAANFKB1
SCHEMBL911100 0.83 CA2 (0.61) TSHRLMNAALDH1A1CYP3A4
SCHEMBL10773862 0.83 ALDH1A1 (0.57) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL910429 0.83 TAAR1 (0.65) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL30173475 0.82 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL1057281 0.82 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL8983685 0.82 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL8983707 0.81 TAAR1 (0.57) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL28537271 0.79 TSHR (0.66) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL68178 0.79 CALM1 (0.79) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021047394-A1 METHOD FOR ANALYZING ROOT-BARK OF CHINESE WOLFBERRY COMPOUND STRUCTURE BY MOLECULAR NETWORKING 北方民族大学 2021-03-18 WO 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP 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
EP-0457786-A1 STABILIZED, POTENT GRF ANALOGS THE UPJOHN COMPANY (US) 1991-11-27 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
WO-1990008776-A1 STABILIZED, POTENT GRF ANALOGS THE UPJOHN COMPANY (US) 1990-08-09 WO disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 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 (4 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 1466/4885TSHR 4713/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TAAR1 3484/4885TSHR 4711/4885MAPK1 2393/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 TAAR1 2774/4885TSHR 2401/4885MAPK1 1877/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TAAR1 1535/4885TSHR 4731/4885MAPK1 2010/4885

“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.