SCHEMBL537442

SCHEMBL537442

COc1ccc(C(=O)c2cc(OC)ccc2[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.54
RAB9A P51151 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL10934884 0.91 POLB (0.68) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL9490579 0.89 MAPT (0.53) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL10490615 0.89 MAPT (0.49) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL9719343 0.89 MAPT (0.52) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL11050814 0.86 CES2 (0.54) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL9080792 0.84 KMT2A (0.62) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL6375687 0.78 MAPT (0.96) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL6374455 0.78 MAPT (0.67) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL3989915 0.77 MAPT (0.41) MAPTHTTNPSR1NPC1ALDH1A1
SCHEMBL4309730 0.77 ALDH1A1 (0.60) MAPTHTTNPSR1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415777-B1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL (JP) 2015-07-29 EP disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 US disclosed
EP-2528914-A1 FURO [3, 2 -B]PYRANE DERIVATIVES USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS Eisai R&D Management Co., Ltd. (JP) 2012-12-05 EP 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-8173705-B2 Agent for alleviating wrinkles SHISEIDO COMPANY LTD. (JP) 2012-05-08 US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2415777-A1 PROCESS FOR PRODUCING NUCLEOSIDE Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2011094339-A1 FURO [3, 2 -B] PYRANE DERIVATIVES USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-04 WO disclosed
US-20100113450-A1 Agent for Preventing and Alleviating Wrinkles SHISEIDO COMPANY LTD. (JP) 2010-05-06 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-2123253-A1 WRINKLING-PREVENTING AND -MODIFYING AGENT Shiseido Company, Ltd. (JP) 2009-11-25 EP 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 (5 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 MAPT 2499/4885HTT 1249/4885NPSR1 2216/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MAPT 2324/4885HTT 2894/4885NPSR1 4560/4885
US-20100113450-A1 Agent for Preventing and Alleviating Wrinkles GABRB1, GABRB2, GABBR1 MAPT 2244/4885HTT 537/4885NPSR1 604/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MAPT 2212/4885HTT 1156/4885NPSR1 2485/4885
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 MAPT 4776/4885HTT 3216/4885NPSR1 752/4885

“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.