SCHEMBL10104432

SCHEMBL10104432

Cc1cc(OCCN2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SYK P43405 1/20 0.53
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL10104427 0.88 LTA4H (0.58) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL29968324 0.84 KDM4E (0.48) NPC1ALDH1A1KDM4ELTA4HEPHX2
SCHEMBL3542746 0.84 KDM4E (0.48) NPC1ALDH1A1KDM4ELTA4HEPHX2
SCHEMBL12943762 0.82 POLB (0.57) POLBSYKNPC1MEN1KMT2A
SCHEMBL16566599 0.80 KDM4E (0.51) KMT2AALDH1A1KDM4EEPHX2
SCHEMBL27081628 0.80 KDM4E (0.49) NPC1ALDH1A1KDM4ELTA4HEPHX2
SCHEMBL27099151 0.80 POLB (0.54) POLBSYKNPC1MEN1KMT2A
SCHEMBL16566606 0.80 EPHX2 (0.50) ALDH1A1KDM4EEPHX2
SCHEMBL27289103 0.80 POLB (0.57) POLBSYKNPC1MEN1KMT2A
SCHEMBL16055917 0.79 RAB9A (0.48) POLBNPC1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 POLB 3682/4885SYK 3923/4885NPC1 367/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 POLB 256/4885SYK 4472/4885NPC1 3671/4885

“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.