SCHEMBL9946091

SCHEMBL9946091

Cc1cc(C)cc(COc2cccc(C(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
SPHK1 Q9NYA1 1/20 0.47
MAOA P21397 1/20 0.46
TACR1 P25103 3/20 0.45
BCHE P06276 1/20 0.45
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44

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
SCHEMBL9946031 0.87 MAOB (0.64) MAOBKDM4ETSHRSPHK1MAOA
SCHEMBL684282 0.83 MAOB (0.62) MAOBKDM4ETSHRMAOABCHE
SCHEMBL9946057 0.83 MAOB (0.60) MAOBKDM4ETSHRMAOABCHE
SCHEMBL9946090 0.81 PARP10 (0.55) MAOBKDM4EMAOAPARP10ALDH1A1
SCHEMBL15340853 0.79 MAOB (0.65) MAOBKDM4ETSHRSPHK1MAOA
Formaldehyde SCHEMBL27575662 0.79 KMT2A (0.58) MAOBMAOABCHESMN1; SMN2SGMS2
SCHEMBL15340870 0.79 NPC1 (0.58) MAOBKDM4ETSHRSPHK1BCHE
SCHEMBL15340871 0.78 MAOB (0.58) MAOBMAOA
SCHEMBL18253179 0.78 MAOB (0.66) MAOBMAOA
SCHEMBL26378372 0.78 MAOB (0.59) MAOBKDM4ETSHRSPHK1BCHE

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 MAOB 780/4885KDM4E 4270/4885TSHR 1441/4885

“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.