SCHEMBL9946063

SCHEMBL9946063

Cc1cc(C)c(OCc2ccccc2C)c(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAOB P27338 1/20 0.39
GLRA1 P23415 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
ACHE P22303 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9946085 0.80 THRA (0.44) THRATHRBMAOBADRA2AADRA2B
SCHEMBL9946064 0.78 MAOB (0.47) THRATHRBMAOBGLRA1ACHE
SCHEMBL9945945 0.77 KMT2A (0.36) THRATHRBHTR2AHTR2CALDH1A1
SCHEMBL9946075 0.74 CDK4 (0.51) MAOBADRA2AADRA2BADRA2CCDK4
SCHEMBL1539413 0.74 THRA (0.39) THRATHRBHTR1AADRA1AHTR2A
SCHEMBL3459594 0.73 FFAR1 (0.37) THRATHRBHTR1AADRA1AHTR2A
SCHEMBL1539415 0.71 THRA (0.42) THRATHRBMAOBHTR1AADRA1A
SCHEMBL2292139 0.71 THRA (0.48) THRATHRBMAOBALDH1A1LMNA
SCHEMBL12030992 0.71 IDO1 (0.47) THRATHRBMAOBHTR1AADRA1D
SCHEMBL30463377 0.71 MAOB (0.49) THRATHRBMAOBADRA2AADRA2B

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 THRA 1584/4885THRB 898/4885MAOB 780/4885

“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.