SCHEMBL18870232

SCHEMBL18870232

CNCCNCCCCCCCCCCNCCNC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 3/20 0.45
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
PAOX Q6QHF9 1/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
ALOX15 P16050 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 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
SCHEMBL27317399 0.93 EPHX1 (0.50) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL7521377 0.90 EPHX1 (0.61) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL18608790 0.90 CYP2C19 (0.50) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL15900056 0.90 EPHX1 (0.61) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL24042526 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL6892698 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL6888368 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL11974145 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL820309 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL17480037 0.89 EPHX1 (0.70) EPHX1TSHRALDH1A1CYP2C19CYP1A2

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-20170137380-A1 IONIC LIQUID FILMS WITH MULTIPLE FUNCTIONALITIES FOR SURFACE MODIFICATION OF BIOMEDICAL ALLOYS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-05-18 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-20170137380-A1 IONIC LIQUID FILMS WITH MULTIPLE FUNCTIONALITIES FOR SURFACE MODIFICATION OF BIOMEDICAL ALLOYS MIF, STAT1, IRF3 EPHX1 4109/4885TSHR 4226/4885ALDH1A1 2700/4885

“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.