SCHEMBL6940429

SCHEMBL6940429

CCCCCCCCc1ccc(-c2ccc(C3CCCCC3)cc2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SPHK1 Q9NYA1 5/20 0.43
CNR2 P34972 8/20 0.41
CNR1 P21554 6/20 0.41

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
SCHEMBL7737889 0.81 ACMSD (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL28431228 0.79 SPHK1 (0.66) TSHRSPHK1
SCHEMBL28063060 0.78 SPHK1 (0.68) TSHRSPHK1
SCHEMBL9405640 0.77 TYR (0.72) TYRMEN1TP53CYP3A4ALOX5
Bicarbonate SCHEMBL10775613 0.76 SPHK1 (0.58) MEN1MAPTKMT2ASPHK1
SCHEMBL27809930 0.75 ACMSD (0.48) TYRCNR2CNR1
SCHEMBL28160529 0.74 SPHK1 (0.71) TP53CYP3A4SPHK1
SCHEMBL11278530 0.74 SPHK1 (0.71) TP53CYP3A4SPHK1
4-Octylphenol SCHEMBL9496711 0.74 ESR1 (0.65) TP53CYP3A4SPHK1
SCHEMBL20903897 0.74 SPHK1 (0.43) MEN1MAPTKMT2ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191349-A1 Process for the preparation of phenylphenol compounds CIBA SPECIALTY CHEMICALS CORP. 2003-10-09 US disclosed
EP-1313689-A1 PROCESS FOR THE PREPARATION OF PHENYLPHENOL COMPOUNDS Ciba SC Holding AG (CH) 2003-05-28 EP disclosed
WO-2002018311-A1 PROCESS FOR THE PREPARATION OF PHENYLPHENOL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-07 WO disclosed
EP-0852486-A2 ANTIPLAQUE ORAL COMPOSITION Colgate-Palmolive Company (US) 1998-07-15 EP disclosed
US-5723500-A WATER INSOLUBLE, NONCATIONIC, ANTIBACTERIAL, STERICALLY HINDERED PHENOL; MOUTHWASHES, DENTIFRICES COLGATE-PALMOLIVE COMPANY (US) 1998-03-03 US disclosed
WO-1997010800-A2 ANTIPLAQUE ORAL COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1997-03-27 WO 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-20030191349-A1 Process for the preparation of phenylphenol compounds PAH, CYP1A1, CYP2D6 TYR 15/4885MEN1 4841/4885TP53 4306/4885

“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.