Xenyhexenic Acid

Xenyhexenic Acid

SCHEMBL2734602

C/C=C/CC(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
PTGS2 P35354 3/20 0.50
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FFAR1 O14842 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 1/20 0.39

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
Xenyhexenic Acid SCHEMBL5158399 1.00 CYP2C19 (0.51) CYP2C19PTGS2CTSSCTSKFFAR1
SCHEMBL667322 0.90 CYP2C19 (0.62) CYP2C19SMN1; SMN2GRIK1GRIK2
SCHEMBL6751630 0.86 CYP2C19 (0.47) CYP2C19PTGS2CTSSCTSKPPARG
SCHEMBL7347852 0.81 CYP2C19 (0.56) CYP2C19PTGS2CTSSCTSKFFAR1
SCHEMBL11071970 0.81 CYP2C19 (0.56) CYP2C19SMN1; SMN2
SCHEMBL5156636 0.80 CYP2C19 (0.80) CYP2C19PTGS2CTSSCTSKFFAR1
SCHEMBL28142590 0.79 MAOB (0.50) CYP2C19PTGS2FFAR1CYP1A2PPARG
SCHEMBL10886677 0.78 CYP2C19 (0.47) CYP2C19HPGD
SCHEMBL10886683 0.78 CYP2C19 (0.47) CYP2C19HPGD
Xenbucin SCHEMBL24134 0.78 PTGS2 (0.58) PTGS2CTSSCTSKSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 CN claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
JP-60006637-A None JP disclosed
US-8454582-B2 Methods and devices for the treatment of ocular conditions SURMODICS, INC. (US) 2013-06-04 US disclosed
US-20110159073-A1 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS DEJUAN EUGENE 2011-06-30 US disclosed
EP-1427386-B1 PRODUCTS FOR PREVENTING PENETRATION INTO THE SKIN YISSUM RES DEV CO (IL) 2010-10-20 EP disclosed
US-7736630-B2 Products for preventing penetration into the skin YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-06-15 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
US-20060110428-A1 Methods and devices for the treatment of ocular conditions SURMODICS MD, LLC 2006-05-25 US disclosed
WO-2006014484-A2 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS SURMODICS, INC. (US) 2006-02-09 WO disclosed
EP-1427386-A4 PRODUCTS FOR PREVENTING PENETRATION INTO THE SKIN YISSUM RES DEV CO (IL) 2006-01-04 EP disclosed
US-4562287-A ANALGESICS SCHARPER S.P.A. PER L'INDUSTRIA FARMACEUTICA (IT) 1985-12-31 US disclosed
US-4562287-A ANALGESICS SCHARPER S.P.A. PER L'INDUSTRIA FARMACEUTICA (IT) 1985-12-31 US disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
US-4536515-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-20 US disclosed
JP-S606637-A ANTIINFLAMMATORY 2-(4-BIPHENYLYL)-4-HEXENOIC ACID AND DERIVATIVES SHIYAAFUAA SPA 1985-01-14 JP disclosed
US-4453005-A Process for preparing substituted phenylalkenoic acids MERCK FROSST CANADA, INC. (CA) 1984-06-05 US disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 EP disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 CYP2C19 2594/4885PTGS2 1321/4885CTSS 908/4885

“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.