SCHEMBL2163322

SCHEMBL2163322

CCCCCC=CC[C]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
TRPV1 Q8NER1 2/20 0.54
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
TOP1 P11387 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1658940 1.00 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL4963683 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL7357239 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL6569743 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL7357636 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL7288642 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL7288637 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL7358985 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL21777211 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL9949863 0.98 FAAH (0.58) FAAHTRPV1TERTPTPN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US disclosed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP disclosed
EP-1123386-B1 METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE BASF AG (DE) 2006-12-27 EP disclosed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US disclosed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP disclosed
US-6869783-B1 Method for producing chiral carboxylic acids from nitriles with the assistance of a nitrilase or microoganisms which contain a gene for the nitrilase BASF AKTIENGESELLSCHAFT (DE) 2005-03-22 US disclosed
US-6794170-B2 HALOGENATION OF PREFERENTIAL COMPOUNDS; OBTAIN COMPOUND SAMPLE, INCUBATE WITH HALOGENASE, RECOVER HALOGENATED COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed
US-20030096335-A1 Nucleic acid fragment and vector comprising a halogenase, and a process for halogenating chemical compounds PELZER STEFAN (DE) 2003-05-22 US disclosed
US-6566110-B1 Nucleotide sequences coding polypeptide for use tool in halogenating compounds BASF AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-3959300-A Novel indolobenzazepine derivatives, useful as tranquilizers ENDO LABORATORIES, INC. (US) 1976-05-25 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 (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-20030096335-A1 Nucleic acid fragment and vector comprising a halogenase, and a process for halogenating chemical compounds POLM, DCTD, UPF1 FAAH 299/4885TRPV1 2880/4885TERT 1270/4885

“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.