SCHEMBL9945859

SCHEMBL9945859

O=C1CC2C=CC=CC2C(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 9/20 0.38
MAOA P21397 7/20 0.38
KDM1A O60341 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL9945852 0.82 HTR2C (0.39) MAPTCYP2C19CYP2C9HSD17B10CYP3A4
SCHEMBL15943750 0.82 KDM1A (0.47) MAPTKDM1ACYP2C19CYP2C9CYP3A4
SCHEMBL9947172 0.78 HTR2C (0.44) MAPTMAOBLMNAHTR2CCYP19A1
SCHEMBL15831780 0.77 MAOB (0.54) MAPTGAAMAOBMAOAKDM1A
SCHEMBL3666782 0.77 MAOB (0.54) MAPTGAAMAOBMAOAKDM1A
SCHEMBL14310454 0.70
SCHEMBL7563424 0.69 MAPT (0.68) MAPTGAAMAOBMAOAKDM1A
SCHEMBL7226907 0.66 MCL1 (0.50) MAPTGAAMAOBMAOAKDM1A
SCHEMBL5763634 0.66 MAPT (0.42) MAPTGAAMAOBMAOAKDM1A
SCHEMBL7226904 0.66 MCL1 (0.50) MAPTGAAMAOBMAOAKDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
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 MAPT 2718/4885GAA 3822/4885MAOB 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.