SCHEMBL18944253

SCHEMBL18944253

CS(C)(C)c1ccc(-c2ccc(F)nc2F)nc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
SCD O00767 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL19248524 0.78 MAPT (0.35)
SCHEMBL18932589 0.75
SCHEMBL21290367 0.75 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL19932431 0.72 BRAF (0.36) PTGS2
SCHEMBL19072766 0.72 NPSR1 (0.40) ALOX5APFEN1
SCHEMBL13713454 0.70 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL13713452 0.69 FEN1 (0.37) ALOX5APFEN1
SCHEMBL26023394 0.69 NPC1 (0.49) PTGS2
SCHEMBL9909887 0.67 KDM4E (0.48)
SCHEMBL30995988 0.67 KDM4E (0.48)

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-20180066002-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-03-08 US disclosed
US-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-08 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 (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-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME METTL3, MEN1, L1CAM PTGS2 4124/4885SCD 2742/4885ALOX5AP 4587/4885
US-20180066002-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME METTL3, MEN1, L1CAM PTGS2 4124/4885SCD 2742/4885ALOX5AP 4587/4885

“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.