SCHEMBL17359392

SCHEMBL17359392

COC(=O)CC(P(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CETP P11597 3/20 0.46
ABCB1 P08183 2/20 0.45
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
ELANE P08246 1/20 0.41
MMP1 P03956 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL17357042 0.85 TSHR (0.54) TSHRCETPPOLBFOLH1ALDH1A1
SCHEMBL13228165 0.84 TSHR (0.45) TSHRCETPPOLBFOLH1
SCHEMBL5669129 0.84 TSHR (0.55) TSHRCETPFOLH1NPC1RAB9A
SCHEMBL4634504 0.81 TSHR (0.51) TSHRCETPFOLH1NPC1RAB9A
SCHEMBL17359394 0.78 POLB (0.46) POLBLMNAELANEL3MBTL1
SCHEMBL11302597 0.77 ELANE (0.51) TSHRCETPPOLBFOLH1NPC1
SCHEMBL13892565 0.76 TSHR (0.56) TSHRCETPPOLBFOLH1NPC1
SCHEMBL14139643 0.75 TSHR (0.45) TSHRCETPFOLH1LMNA
SCHEMBL7383180 0.75 TSHR (0.47) TSHRCETPFOLH1RAB9AALDH1A1
SCHEMBL11303293 0.74 TSHR (0.55) TSHRCETPPOLBFOLH1ALDH1A1

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-9296703-B2 Substituted N-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-29 US disclosed
US-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors UNIVERSITY OF UTAH 2015-12-24 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-20150368208-A1 Substituted N-(3-(Pyrimidin-4-YL)Phenyl)Acrylamide Analogs as Tyrosine Receptor Kinase BTK Inhibitors BTK, SYK, LYN TSHR 792/4885CETP 3761/4885ABCB1 1002/4885

“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.