SCHEMBL17308232

SCHEMBL17308232

CC1CCC(N2CCN(CC(F)F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.33
MC4R P32245 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
SCHEMBL22175017 0.83 KDM4E (0.42) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL25001758 0.81 L3MBTL1 (0.39) KDM4EALDH1A1KMT2AMEN1MC4R
SCHEMBL1286703 0.80 TSHR (0.45) ALDH1A1KMT2AMEN1TSHR
SCHEMBL4541000 0.78 L3MBTL3 (0.32) KMT2A
SCHEMBL17308256 0.77 TSHR (0.38) ALDH1A1KMT2AMEN1TSHR
SCHEMBL14355433 0.77 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL18976856 0.77 KDM4E (0.53) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL3421713 0.74 PIK3CD (0.45) KDM4EPOLBTSHR
SCHEMBL736384 0.73 ACHE (0.52) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL736828 0.73 ACHE (0.52) KDM4EALDH1A1ALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KDM4E 1474/4885ALDH1A1 4260/4885ALOX15 4462/4885

“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.