SCHEMBL4399586

SCHEMBL4399586

OCN(CO)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
AOC3 Q16853 1/20 0.46
MEP1B Q16820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
MAPK1 P28482 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL29004387 0.97 CNR2 (0.50) CNR2TSHRALDH1A1HTTKDM4E
SCHEMBL6546403 0.95 TSHR (0.50) CNR2TSHRALDH1A1HTTAOC3
SCHEMBL7296277 0.91 HRH3 (0.56) CNR2TSHRALDH1A1KDM4ELMNA
Alcohol SCHEMBL23296441 0.87 CNR2 (0.61) CNR2TSHRALDH1A1KDM4ELMNA
SCHEMBL12652670 0.86 TSHR (0.43) CNR2TSHRALDH1A1HTTAOC3
SCHEMBL11586184 0.84 MEP1B (0.47) ALDH1A1LMNAMEP1BTDP1MEN1
SCHEMBL81248 0.84 HRH3 (0.65) CNR2TSHRALDH1A1KDM4ELMNA
SCHEMBL134524 0.83 TSHR (0.60) CNR2TSHRALDH1A1KDM4EAOC3
SCHEMBL10199444 0.82 KCNH2 (0.56) OPRM1OPRD1OPRK1
Bromide SCHEMBL11663269 0.82 HRH3 (0.62) CNR2TSHRALDH1A1KDM4ELMNA

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-8349299-B2 Conditioning agent and a method for making hair having a shape memory effect THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-01-08 US claimed
US-20090311210-A1 CONDITIONING AGENT AND A METHOD FOR MAKING HAIR HAVING A SHAPE MEMORY EFFECT THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-12-17 US claimed
US-20220127533-A1 PHOSPHORUS NITROGEN FLAME RETARDANT, METHOD THEREOF AND MATERIAL COMPRISING THE SAME ZHOU CHONGFU (US) 2022-04-28 US disclosed
US-8349299-B2 Conditioning agent and a method for making hair having a shape memory effect THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-01-08 US disclosed
US-20090311210-A1 CONDITIONING AGENT AND A METHOD FOR MAKING HAIR HAVING A SHAPE MEMORY EFFECT THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-12-17 US 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-20090311210-A1 CONDITIONING AGENT AND A METHOD FOR MAKING HAIR HAVING A SHAPE MEMORY EFFECT PNMT, PSAP, PLPBP CNR2 962/4885TSHR 3819/4885ALDH1A1 431/4885

“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.