SCHEMBL8749181

SCHEMBL8749181

N#CC(=Cc1ccc(C=O)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 1.00
CISD1 Q9NZ45 1/20 0.73
KDM4E B2RXH2 1/20 0.73
SLC16A3 O15427 1/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP3A4 P08684 1/20 0.73
HPGD P15428 1/20 0.73
SLC16A1 P53985 1/20 0.73
GPR35 Q9HC97 1/20 0.73

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
SCHEMBL10413058 0.92 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL4600830 0.92 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL4600832 0.92 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL28529867 0.85 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26825 0.85 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26826 0.85 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL437568 0.85 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL305982 0.84 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL3009380 0.84 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL305983 0.84 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US claimed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US claimed
EP-0403238-A2 Cosmetic composition UNILEVER PLC (GB) 1990-12-19 EP claimed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US disclosed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US disclosed
EP-0571198-B1 Cosmetic composition containing hair-growth promoter UNILEVER PLC (GB) 1997-03-19 EP disclosed
EP-0572167-B1 Cosmetic composition UNILEVER PLC (GB) 1996-10-09 EP disclosed
US-5559092-A HAIR GROWTH, GLUTAMINE DIPEPTIDE CHESEBROUGH-POND'S USA CO. DIVISION OF CONOPCO, INC. (US) 1996-09-24 US disclosed
EP-0490581-B1 Cosmetic composition UNILEVER PLC (GB) 1996-05-22 EP disclosed
EP-0517371-B1 Hair growth composition containing citric acid esters UNILEVER PLC (GB) 1996-01-10 EP disclosed
EP-0580409-A2 Cosmetic composition containing DOPA derivatives UNILEVER PLC (GB) 1994-01-26 EP disclosed
EP-0572167-A1 Cosmestic composition UNILEVER PLC (GB) 1993-12-01 EP disclosed
EP-0571198-A1 Cosmetic composition containing hair-growth promoter UNILEVER PLC (GB) 1993-11-24 EP disclosed
EP-0517371-A2 Hair growth composition containing citric acid esters UNILEVER PLC (GB) 1992-12-09 EP disclosed
EP-0490581-A1 Cosmetic composition UNILEVER PLC (GB) 1992-06-17 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 (2 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-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 EGFR 4863/4885CISD1 4136/4885KDM4E 3622/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 EGFR 4863/4885CISD1 4136/4885KDM4E 3622/4885

“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.