SCHEMBL487445

SCHEMBL487445

OC(C#CC#CC(O)(c1ccccc1)c1ccccc1Cl)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.48
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
OPRK1 P41145 2/20 0.44
KCNH2 Q12809 2/20 0.44
ADRA1A P35348 1/20 0.44
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 1/20 0.39
KCNA3 P22001 2/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 3/20 0.37
CYP19A1 P11511 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
SLC22A1 O15245 1/20 0.37
NR1I2 O75469 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
TRPM2 O94759 1/20 0.37

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
SCHEMBL9669413 0.92 KCNN4 (0.52) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL10349268 0.85 CACNA1C (0.40) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL9067519 0.85 KCNN4 (0.52) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL414397 0.80 ALDH1A1 (0.50) KCNN4KMT2ATSHRMEN1CYP1A2
SCHEMBL9626191 0.78 ALDH1A1 (0.46) KCNN4KMT2ATSHRMEN1CYP1A2
SCHEMBL10350145 0.78 KCNN4 (0.46) KCNN4OPRK1KCNH2KMT2ATSHR
SCHEMBL10349828 0.78 ALDH1A1 (0.37) KMT2AMEN1CYP1A2CA2CHRM2
SCHEMBL11251144 0.76 CYP19A1 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL11248026 0.76 CYP19A1 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL11246284 0.75 CYP19A1 (0.36) KCNN4HTR2AHTR2COPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676478-B1 Slime remover and slime preventing/removing agent NIPPON SODA CO (JP) 2011-08-24 EP claimed
US-7727692-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2010-06-01 US claimed
US-7098174-B2 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. (JP) 2006-08-29 US claimed
EP-1676478-A2 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. (JP) 2006-07-05 EP claimed
US-6927199-B2 Slime remover and slime preventing/removing agent containing a clathrate compound NIPPON SODA CO., LTD (JP) 2005-08-09 US claimed
EP-0923867-B1 Antimicrobial compositions and their use KURITA WATER IND LTD (JP) 2003-11-05 EP claimed
US-20030032569-A1 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. 2003-02-13 US claimed
EP-1113112-A1 SLIME REMOVER AND SLIME PREVENTING/REMOVING AGENT NIPPON SODA CO., LTD. (JP) 2001-07-04 EP claimed
EP-0923867-A1 Antimicrobial composition and their use KURITA WATER INDUSTRIES LTD. (JP) 1999-06-23 EP claimed
JP-8053304-A None JP disclosed
JP-1292200-A None JP disclosed
JP-62142130-A None JP disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
EP-2528598-B1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT TAKEDA PHARMACEUTICAL (JP) 2016-01-13 EP disclosed
US-5041620-A Method for producing optically active 2-cyclopenten-4-one-1-ol esters, 2-cyclopenteno-4-one-1-ol ester and complexes thereof with optically active 1,6-diphenyl-2,4-hexadiyne-1,6-diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0220887-B1 METHOD OF OPTICALLY RESOLVING A RACEMATE OR A DIASTEREOMERIC MIXTURE OF GLYCIDYL COMPOUND Daiso Co., Ltd. (JP) 1990-06-27 EP disclosed
JP-H01292200-A PAPER-LIKE PRODUCT KURITA WATER IND LTD 1989-11-24 JP disclosed
US-4841081-A Method of optically resolving a racemate or a diastereomeric mixture of glycidyl compound OSAKA SODA CO., LTD. (JP) 1989-06-20 US disclosed
JP-S62142130-A OPTICALLY ACTIVE CYCLOPENTENONE ESTER COMPLEX AND ITS PREPARATION SUMITOMO CHEM CO LTD 1987-06-25 JP disclosed
EP-0220887-A1 Method of optically resolving a racemate or a diastereomeric mixture of glycidyl compound Daiso Co., Ltd. (JP) 1987-05-06 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 (1 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-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF KCNN4 1554/4885HTR2A 3384/4885HTR2C 4164/4885

“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.