SCHEMBL2936955

SCHEMBL2936955

OCC1CCCC(CO)CCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.46
ESR1 P03372 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
APLNR P35414 1/20 0.38
ALOX5 P09917 1/20 0.35
GBA1 P04062 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL5461 1.00
Hydrochloric Acid SCHEMBL20579190 0.96
Ammonia Solution, Strong SCHEMBL8055914 0.96
SCHEMBL6562400 0.96 ESR2 (0.50) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4890514 0.93 ESR1 (0.43) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL5625 0.92
Alcohol SCHEMBL3157273 0.90
SCHEMBL330190 0.89
SCHEMBL13973760 0.89 ESR1 (0.40) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL22289146 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9216929-A None JP disclosed
EP-1411086-B1 THERMOPLASTIC POLYMER COMPOSITION KURARAY CO (JP) 2010-09-15 EP disclosed
EP-1411083-B1 VINYL CHLORIDE POLYMER COMPOSITION KURARAY CO (JP) 2008-06-18 EP disclosed
US-7138447-B2 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2006-11-21 US disclosed
US-7138175-B2 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2006-11-21 US disclosed
US-7041735-B2 Vinyl chloride polymer composition KURARAY CO., LTD. (JP) 2006-05-09 US disclosed
US-20050261427-A1 Thermoplastic polymer composition KURARAY CO., LTD (JP) 2005-11-24 US disclosed
EP-1535964-A1 THERMOPLASTIC POLYMER COMPOSITION KURARAY CO., LTD. (JP) 2005-06-01 EP disclosed
JP-2004359588-A DI(METH)ACRYLATE MIXTURE KURARAY CO LTD 2004-12-24 JP disclosed
US-20040176525-A1 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2004-09-09 US disclosed
US-20040171751-A1 Vinyl chloride polymer composition KURARAY CO., LTD. (JP) 2004-09-02 US disclosed
EP-1411086-A1 THERMOPLASTIC POLYMER COMPOSITION Kuraray Co., Ltd. (JP) 2004-04-21 EP disclosed
EP-1411083-A1 VINYL CHLORIDE POLYMER COMPOSITION KURARAY CO., LTD. (JP) 2004-04-21 EP disclosed
EP-1240140-B1 METHOD FOR THE PRODUCTION OF N-ALKENYL AMIDES BASF AG (DE) 2004-03-17 EP disclosed
US-6673920-B2 REACTING AMIDES WITH ACETYLENES IN THE LIQUID PHASE IN THE PRESENCE OF BASIC ALKALI METAL COMPOUNDS AND OF A COCATALYST, WHICH COMPRISES USING AS THE COCATALYST DIOLS TO PREPARE N-ALKENYL-AMIDE BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
US-20030036659-A1 Method for the production of n-alkenyl amides BASF AKTIENGESELLSCHAFT (DE) 2003-02-20 US disclosed
JP-H09216929-A PRODUCTION OF POLYURETHANE KURARAY CO LTD 1997-08-19 JP disclosed
EP-0382931-B1 Polyether, its preparation and use HUELS CHEMISCHE WERKE AG (DE) 1993-11-18 EP disclosed
EP-0382931-A2 Polyether, its preparation and use HÜLS AKTIENGESELLSCHAFT (DE) 1990-08-22 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-20030036659-A1 Method for the production of n-alkenyl amides NAT1, SAT1, AGPAT2 ESR2 3104/4885ESR1 3675/4885CYP3A4 334/4885

“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.