SCHEMBL4481165

SCHEMBL4481165

CCC(C)(C)Cc1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TAAR1 Q96RJ0 1/20 0.35
RIPK1 Q13546 3/20 0.35
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CYP2A13 Q16696 1/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 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
SCHEMBL20428009 0.87 TAAR1 (0.50) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL20427978 0.83 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2TAAR1RIPK1
SCHEMBL4403486 0.79 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL20441553 0.78 RIPK1 (0.49) TAAR1RIPK1
SCHEMBL20988671 0.77 RIPK1 (0.47) ALDH1A1TAAR1RIPK1MEN1KMT2A
SCHEMBL13077106 0.74 BRS3 (0.41) ALDH1A1MEN1KMT2AHTTPOLB
SCHEMBL10438220 0.74 CYP3A4 (0.37) ALDH1A1SMN1; SMN2TAAR1TSHR
SCHEMBL20428033 0.74 TAAR1 (0.40) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL22728373 0.72 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL91337 0.71 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2TAAR1GAA

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-9804168-B2 Biomarker discovery in complex biological fluid using bead or particle based libraries and diagnostic kits and therapeutics OPKO PHARMACEUTICALS, LLC (US) 2017-10-31 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KDM4E 1791/4885ALDH1A1 780/4885SMN1; SMN2 3820/4885

“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.