SCHEMBL17127705

SCHEMBL17127705

CCc1cc(C(C)C)cc2ccn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CMA1 P23946 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTPN1 P18031 1/20 0.31
IDH1 O75874 1/20 0.31
CASR P41180 1/20 0.31
BRD4 O60885 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31
CECR2 Q9BXF3 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
SCHEMBL18876111 0.77 LMNA (0.34) ADRA1DADRA1AADRA1BCCNE2CDK4
SCHEMBL18999662 0.77 GABRA1 (0.37) ADRA1DADRA1AADRA1B
SCHEMBL18876187 0.76 CYP19A1 (0.33) ADRA1DADRA1AADRA1BNPBWR1MCHR1
SCHEMBL18876128 0.76 PTGER3 (0.34) ADRA1DADRA1AADRA1BCCNE2CDK4
SCHEMBL17127711 0.73 LMNA (0.36) L3MBTL1PTPN1RORARORCRORB
SCHEMBL24992571 0.72 MAPK1 (0.39) NPBWR1MCHR1CASR
SCHEMBL18876155 0.72 XDH (0.43) L3MBTL1NPBWR1MCHR1CASR
SCHEMBL11005480 0.69 CMA1 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL26495069 0.68 SMN1; SMN2 (0.34) NPBWR1MCHR1BRD4CREBBPBRD9
SCHEMBL12026647 0.68 BRD4 (0.39) CASRBRD4TAF1BRPF1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ADRA1D 3861/4885ADRA1A 3660/4885ADRA1B 3615/4885

“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.