SCHEMBL16127355

SCHEMBL16127355

Cc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.46
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
HBB P68871 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
MYC P01106 1/20 0.36
DPP4 P27487 2/20 0.36

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
SCHEMBL3790203 0.79 CD44 (0.62) CD44CYP3A4NPC1ALDH1A1TSHR
SCHEMBL30839806 0.79 CD44 (0.62) CD44CYP3A4NPC1ALDH1A1TSHR
SCHEMBL16127357 0.78 CA1 (0.34) ALDH1A1SMN1; SMN2CA1CA2CA7
SCHEMBL3790040 0.78 CD44 (0.62) CD44CYP3A4NPC1ALDH1A1TSHR
SCHEMBL4154665 0.78 ACHE (0.46) NPC1ALDH1A1TSHRCASP3RAB9A
Hydrochloric Acid SCHEMBL11680714 0.77 CD44 (0.59) CD44CYP3A4NPC1ALDH1A1TSHR
SCHEMBL19608993 0.77 ACHE (0.43) CD44CYP3A4ALDH1A1TSHRCA1
SCHEMBL16222498 0.75 ACHE (0.33) CYP3A4TSHRDPP4ACHEANPEP
SCHEMBL22289770 0.75 CD44 (0.56) CD44CYP3A4NPC1ALDH1A1TSHR
SCHEMBL15620357 0.73 CD44 (0.45) CD44NPC1ALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
WO-2014146752-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 CD44 4193/4885CYP3A4 424/4885NPC1 3147/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 CD44 4193/4885CYP3A4 424/4885NPC1 3147/4885

“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.