SCHEMBL5659319

SCHEMBL5659319

O=Cc1ccccc1C#CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 2/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL9118735 0.90 CYP3A4 (0.53) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL9119911 0.88 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL15428220 0.79 CYP3A4 (0.53) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL8698375 0.79 CA1 (0.47) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL9428752 0.78 CYP3A4 (0.43) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL9700196 0.78 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL10585725 0.78 CYP2C19 (0.45) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6103008 0.78 LMNA (0.44) CYP3A4ALDH1A1KDM4EMAPTTDP1
SCHEMBL8846326 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL9559982 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1KDM4EMAPTCYP1A2

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 CYP3A4 348/4885ALDH1A1 1267/4885KDM4E 3121/4885

“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.