SCHEMBL910692

SCHEMBL910692

CCc1ccccc1CCC=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
AOX1 Q06278 1/20 0.37
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PSIP1 O75475 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL28607303 0.91 ADH1B (0.36) AOX1ALDH1A1CYP4F2CYP4A11TSHR
SCHEMBL910304 0.89 ALDH1A1 (0.40) GABRA1GABRB2AOX1ALDH1A1CYP4F2
Propionaldehyde SCHEMBL4564588 0.87 GABRA1 (0.35) GABRA1GABRB2AOX1MGLLALDH1A1
SCHEMBL5599488 0.87 TSHR (0.41) GABRA1GABRB2AOX1MGLLALDH1A1
SCHEMBL3345733 0.85 TSHR (0.44) MAPTTSHRCYP2D6
SCHEMBL30845912 0.85 TSHR (0.44) MAPTTSHRCYP2D6
SCHEMBL3693829 0.84 LIPG (0.50) MAPTTSHR
SCHEMBL28437315 0.82 LIPG (0.53) MAPTTSHR
Propionaldehyde SCHEMBL29282081 0.82 CYP3A4 (0.41) MAPTTSHRCYP2D6
Propionaldehyde SCHEMBL27616244 0.80 ALDH1A1 (0.50) GABRA1GABRB2MGLLALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100491396-C Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
CN-1451017-A Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2003-10-22 CN disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
US-4131623-A FROM DIHYDRO-1,3-OXAZINES, DECYCLIZATION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL & MECHANICAL COLLEGE (US) 1978-12-26 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 (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 GABRA1 1676/4885GABRB2 989/4885AOX1 2819/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B GABRA1 97/4885GABRB2 169/4885AOX1 2368/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GABRA1 4400/4885GABRB2 3764/4885AOX1 2849/4885
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 GABRA1 883/4885GABRB2 375/4885AOX1 3186/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRA1 1620/4885GABRB2 899/4885AOX1 2570/4885

“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.