SCHEMBL15701974

SCHEMBL15701974

Cc1cc(C)cc(/C=C/c2ccc(C)c(CI)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.39
PTGS2 P35354 8/20 0.39
ALOX5 P09917 7/20 0.39
TUBB1 Q9H4B7 8/20 0.37
NFE2L2 Q16236 2/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
RELA Q04206 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
SCHEMBL15701941 0.79 PTGS1 (0.42) PTGS1PTGS2ALOX5TUBB1NFE2L2
SCHEMBL810292 0.76 TP53 (0.41) TAAR1
SCHEMBL14448167 0.72 ALDH1A1 (0.52) TAAR1
SCHEMBL606261 0.72 TAAR1 (0.56) TAAR1
SCHEMBL3692946 0.71 ALDH1A1 (0.44) PTGS1PTGS2ALOX5TUBB1NFE2L2
SCHEMBL3692947 0.71 ALDH1A1 (0.44) PTGS1PTGS2ALOX5TUBB1NFE2L2
SCHEMBL5509294 0.68 ALDH1A1 (0.44)
SCHEMBL27804944 0.66 TAAR1 (0.34) TAAR1
SCHEMBL14546327 0.66 TAAR1 (0.34) TAAR1
SCHEMBL14496730 0.66 CYP3A4 (0.44)

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-9278959-B2 Processes and reagents for making diaryliodonium salts NUTECH VENTURES (US) 2016-03-08 US disclosed
US-20140121371-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS Ground Fluor Pharmaceuticals, Inc. (US) 2014-05-01 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-20140121371-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS ABL1, ARSA, AADAC PTGS1 4771/4885PTGS2 4712/4885ALOX5 1929/4885

“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.