SCHEMBL10104512

SCHEMBL10104512

CCC(C)N1CC=C(c2cc(C)cc(C(F)(F)F)c2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SOS1 Q07889 1/20 0.31

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
SCHEMBL10104500 0.80 KDM4E (0.42) WDR5KDM4ELMNAALOX15
SCHEMBL10104530 0.78 SLC6A4 (0.43) KDM4ELMNAALOX15
SCHEMBL10104513 0.73 WDR5 (0.41) WDR5
SCHEMBL10104535 0.67 HTR2C (0.46) KDM4EALOX15
SCHEMBL10104395 0.66 HTR2A (0.32) WDR5SOS1
SCHEMBL27481052 0.63 HTR6 (0.47) KDM4ENPC1LMNAALOX15HTT
SCHEMBL16788109 0.63 GRIA1 (0.33) KDM4E
SCHEMBL24630341 0.61 GRIA1 (0.32) KDM4E
SCHEMBL91657 0.61 SMN1; SMN2 (0.40)
SCHEMBL16255680 0.60 MTOR (0.47)

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 WDR5 4258/4885KDM4E 2715/4885NPC1 367/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 WDR5 2344/4885KDM4E 1224/4885NPC1 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.