SCHEMBL17975232

SCHEMBL17975232

CC(=O)n1c(P(C(C)C)C(C)C)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CNR2 P34972 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALOX5AP P20292 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40

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
SCHEMBL17960610 0.84 LMNA (0.50) KMT2AALDH1A1CYP1A2CYP3A4NPC1
SCHEMBL17975237 0.79 CYP1A2 (0.51) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17975235 0.78 CYP1A2 (0.47) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17975241 0.78 CYP1A2 (0.47) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17975240 0.77 SMN1; SMN2 (0.37) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL822015 0.75 ALDH1A1 (0.68) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13140450 0.75 SMN1; SMN2 (0.53) KMT2AALDH1A1CYP2D6NPC1RAB9A
SCHEMBL9486088 0.73 NPC1 (0.51) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17975238 0.73 SMN1; SMN2 (0.47) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30306278 0.71 CNR2 (0.62) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — 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-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS PHOSPHO1, PPIP5K2, PDXK KMT2A 1445/4885ALDH1A1 3824/4885CYP1A2 3343/4885

“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.

Send feedback