SCHEMBL5889475

SCHEMBL5889475

COc1cc(CNCl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
FOS P01100 1/20 0.57
TTR P02766 1/20 0.57
JUN P05412 1/20 0.57
NR3C1 P04150 1/20 0.57
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
ALDH1A1 P00352 3/20 0.56
ALOX5 P09917 2/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 2/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPN1 P18031 1/20 0.56
AR P10275 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL10068659 0.86 TRPV1 (0.57) TSHRLMNAGAACYP3A4NFKB1
SCHEMBL5833247 0.85 TAAR1 (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL11969383 0.85 TAAR1 (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL7739503 0.84 TAAR1 (0.61) TAAR1TSHRMAPK1FOSTTR
SCHEMBL4612057 0.84 TAAR1 (0.61) TAAR1TSHRMAPK1FOSTTR
SCHEMBL6313682 0.82 TAAR1 (0.64) TAAR1TSHRMAPK1FOSTTR
SCHEMBL7768865 0.82 FOS (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL13219152 0.82 PTPN1 (0.60) TAAR1TSHRMAPK1FOSTTR
SCHEMBL9885364 0.82 FOS (0.62) TAAR1TSHRMAPK1FOSTTR
SCHEMBL11856806 0.81 TAAR1 (0.57) TAAR1TSHRMAPK1FOSTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9492409-B2 Compositions and methods for the treatment of local pain CELLIX BIO PRIVATE LIMITED (IN) 2016-11-15 US disclosed
US-20150119423-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LOCAL PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
US-7034058-B2 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide KUREHA CORPORATION (JP) 2006-04-25 US disclosed
US-20040110844-A1 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED 2004-06-10 US disclosed
EP-1426047-A1 Anti-tumour pharmaceutical composition comprising N-vanillyl fatty acid amide Kureha Chemical Industry Company, Limited (JP) 2004-06-09 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-20150119423-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LOCAL PAIN TRPV1, SCN3A, OPRK1 TAAR1 2891/4885TSHR 4736/4885MAPK1 2473/4885
US-20040110844-A1 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide ELOVL1, TRPV1, ELOVL5 TAAR1 2947/4885TSHR 4725/4885MAPK1 1236/4885

“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.