SCHEMBL12434580

SCHEMBL12434580

CCNC(=O)CCCC[PH](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
FAAH O00519 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ASAH1 Q13510 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL12434582 0.83 HDAC3 (0.40) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL12434577 0.80 EPHX2 (0.49) EPHX2FAAHMEN1KMT2AASAH1
SCHEMBL17368565 0.78 FAAH (0.51) EPHX2FAAHMEN1KMT2AASAH1
Bromide SCHEMBL29172337 0.73
SCHEMBL13306017 0.70 KDM4E (0.38) EPHX2GAASMN1; SMN2HPGDTSHR
SCHEMBL23480805 0.69 EPHX2 (0.50) EPHX2MEN1KMT2AASAH1SMN1; SMN2
SCHEMBL9858723 0.67 HPGD (0.61) EPHX2HPGD
SCHEMBL10925762 0.66 HDAC1 (0.68) EPHX2MEN1KMT2AHPGDTSHR
SCHEMBL28764825 0.66 HDAC1 (0.68) EPHX2MEN1KMT2AHPGDTSHR
SCHEMBL13626338 0.66 HDAC1 (0.68) EPHX2MEN1KMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772544-B2 Process for the production of bimatoprost SANDOZ AG (CH) 2014-07-08 US disclosed
US-20110178340-A1 IMPROVED PROCESS FOR THE PRODUCTION OF BIMATOPROST SANDOZ AG (CH) 2011-07-21 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-20110178340-A1 IMPROVED PROCESS FOR THE PRODUCTION OF BIMATOPROST AVPR2, PTGIR, ADH1A EPHX2 1997/4885FAAH 187/4885MEN1 4110/4885

“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.