SCHEMBL10104356

SCHEMBL10104356

CCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
FFAR4 Q5NUL3 2/20 0.51
CHRNA7 P36544 1/20 0.45
KDM2B Q8NHM5 3/20 0.45
GAA P10253 2/20 0.44
RAD52 P43351 2/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 3/20 0.41
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
PHGDH O43175 1/20 0.39
HTR1A P08908 1/20 0.39
DDR1 Q08345 1/20 0.39

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
SCHEMBL10104531 0.84 FFAR4 (0.47) TSHRFFAR4ALDH1A1PIM1HTR1A
SCHEMBL10104342 0.84 FFAR4 (0.51) FFAR4GAAKMT2AKDM4EMAPT
SCHEMBL19538665 0.82 TSHR (0.68) TSHRCHRNA7KDM2BGAARAD52
SCHEMBL19457814 0.79 ADRB1 (0.53) FFAR4MAPTALDH1A1PIM1HTR1A
SCHEMBL10104546 0.79 FFAR4 (0.50) FFAR4KMT2AKDM4EMAPTALDH1A1
SCHEMBL10104358 0.79 FFAR4 (0.47) FFAR4MCHR1ALDH1A1PHGDHDDR1
SCHEMBL10104316 0.78 FFAR4 (0.48) FFAR4CHRNA7GAARAD52KMT2A
SCHEMBL2098176 0.76 FFAR4 (0.41) TSHRFFAR4KDM2BALDH1A1DDR1
SCHEMBL5551057 0.72 NOTUM (0.48) TSHRCHRNA7KDM2BGAARAD52
SCHEMBL10104544 0.70 FFAR4 (0.47) FFAR4MCHR1PIM1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
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
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (3 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 TSHR 1774/4885FFAR4 4456/4885CHRNA7 4408/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TSHR 1287/4885FFAR4 4204/4885CHRNA7 3571/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 TSHR 865/4885FFAR4 2848/4885CHRNA7 3676/4885

“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.