SCHEMBL9945947

SCHEMBL9945947

Cc1cccc(C(C)C)c1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
HTR2B P41595 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL9988540 0.89 GABRA1 (0.50) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL104735 0.84 SCN4A (0.48) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL1986623 0.84 SCN4A (0.39) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL28383057 0.83 LMNA (0.44) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL2737276 0.81 LMNA (0.43) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL16386813 0.78 SCN4A (0.48) LMNACYP1A2CYP3A4TSHRHTR2B
Ether SCHEMBL9990011 0.78 GABRA1 (0.41) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL13408062 0.78 CYP1A2 (0.42) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL16606241 0.77 SCN4A (0.42) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL12440951 0.75 ALDH1A1 (0.44) LMNACYP1A2CYP3A4TSHRHTR2B

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 LMNA 3453/4885CYP1A2 2891/4885CYP3A4 3867/4885

“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.