SCHEMBL10104500

SCHEMBL10104500

CCN1CC=C(c2cc(C)cc(C(F)(F)F)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
HTR6 P50406 2/20 0.39
HTR1A P08908 1/20 0.35
HTR1F P30939 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR2A P28223 1/20 0.33
WDR5 P61964 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 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
SCHEMBL10104513 0.85 WDR5 (0.41) DRD2DRD4HTR1AHTR2AWDR5
SCHEMBL10104530 0.82 SLC6A4 (0.43) KDM4EALOX15LMNADRD2DRD4
SCHEMBL10104512 0.80 WDR5 (0.41) KDM4EALOX15LMNAWDR5
SCHEMBL3761287 0.75 KDM4E (0.47) KDM4EALOX15LMNADRD2DRD4
SCHEMBL10104535 0.70 HTR2C (0.46) KDM4EALOX15DRD2HTR6HTR2A
SCHEMBL10104377 0.69 MAPT (0.42) LMNAALDH1A1MAPT
SCHEMBL9020738 0.68 HTR7 (0.52) KDM4EALOX15LMNADRD2PPARG
SCHEMBL14144244 0.66 SIGMAR1 (0.54) KDM4EALOX15LMNADRD2DRD4
SCHEMBL23291457 0.66 KDM4E (0.46) KDM4EALOX15LMNADRD2DRD4
SCHEMBL2781318 0.65 PPARG (0.44) KDM4EALOX15LMNADRD2DRD4

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 KDM4E 2715/4885ALOX15 1847/4885LMNA 993/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 KDM4E 1224/4885ALOX15 1808/4885LMNA 180/4885

“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.