SCHEMBL9946090

SCHEMBL9946090

Cc1cc(C)cc(COc2ccc(C(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HDAC8 Q9BY41 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
IDO1 P14902 1/20 0.43
FFAR1 O14842 2/20 0.42

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
SCHEMBL9946032 0.84 RXRA (0.64) PARP10RXRARXRBMRGPRX4NPC1
SCHEMBL9946062 0.84 RXRA (0.64) PARP10RXRARXRBMRGPRX4NPC1
SCHEMBL5370546 0.83 PARP10 (0.65) PARP10RAB9APOLBL3MBTL1HDAC8
SCHEMBL12279053 0.83 RXRA (0.72) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL13160063 0.83 RXRA (0.72) RXRARXRBMRGPRX4NPC1RAB9A
SCHEMBL9946091 0.81 MAOB (0.50) PARP10KDM4EMAOBALDH1A1MAOA
SCHEMBL9946087 0.78 FFAR4 (0.52) PARP10MRGPRX4ACHEFFAR1
SCHEMBL683554 0.78 RXRA (0.66) RXRARXRBMRGPRX4RAB9AL3MBTL1
SCHEMBL3439660 0.78 PARP10 (0.58) PARP10NPC1RAB9AHDAC8HRH3
SCHEMBL26581143 0.77 MRGPRX4 (0.62) RXRARXRBMRGPRX4RAB9AL3MBTL1

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 PARP10 609/4885RXRA 1479/4885RXRB 921/4885

“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.