SCHEMBL9945856

SCHEMBL9945856

O[C@H]1Cc2ccccc2C(c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.64
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
KMT2A Q03164 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9945847 1.00 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL12998415 1.00 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL12998408 1.00 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL16687762 0.82 HTR2A (0.65) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL11881965 0.80 SIGMAR1 (0.66) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL9903945 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL30584623 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL12998412 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL299351 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL299296 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BHRH3

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 2 patents. 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
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 SIGMAR1 1254/4885HTR2A 7/4885HTR2C 1/4885

“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.