SCHEMBL9946104

SCHEMBL9946104

CC(C)c1ccc(COc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
GLRA1 P23415 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.42
NFE2L2 Q16236 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL2553915 0.80 GLRA1 (0.46) GLRA1ALOX15TSHRGABRA1GABRG2
SCHEMBL12279053 0.75 RXRA (0.72) IDO1RXRARXRBMRGPRX4HRH3
SCHEMBL13160063 0.75 RXRA (0.72) IDO1RXRARXRBMRGPRX4HRH3
SCHEMBL9261857 0.74 GLRA1 (0.53) GLRA1TSHRALDH1A1L3MBTL1MAOA
SCHEMBL11112611 0.74 TSHR (0.47) GLRA1ALOX15TSHRKMT2AL3MBTL1
SCHEMBL13408054 0.74 TSHR (0.47) ALOX15TSHRGABRA1GABRG2GABRB3
SCHEMBL19501401 0.74 IDO1 (0.55) IDO1RXRARXRBMRGPRX4NFE2L2
SCHEMBL11951639 0.74 RXRA (0.66) IDO1RXRARXRBMRGPRX4HRH3
SCHEMBL24961798 0.72 IDO1 (0.49) IDO1RXRARXRBALDH1A1KMT2A
SCHEMBL8406586 0.72 GLRA1 (0.51) GLRA1TSHRALDH1A1L3MBTL1GABRA1

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 IDO1 2748/4885GLRA1 1844/4885RXRA 1479/4885

“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.