SCHEMBL10062452

SCHEMBL10062452

CCCCCC(C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.34
CNR2 P34972 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 2/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL23190512 0.98 RECQL (0.43) RECQLHTTTSHRCSNK1EALDH1A1
SCHEMBL23730871 0.86 HTT (0.41) RECQLHTTTSHRALDH1A1CYP2C19
SCHEMBL6678854 0.86 TSHR (0.43) TSHRCSNK1EALDH1A1OPRM1CNR2
SCHEMBL6684349 0.84 CSNK1E (0.42) TSHRCSNK1EALDH1A1OPRM1CNR2
SCHEMBL5795839 0.83 HTT (0.39) HTTTSHRALDH1A1CYP2C19CYP3A4
SCHEMBL31627096 0.82 SLC7A5 (0.38) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL31627099 0.82 CYP2C19 (0.42) HTTTSHRALDH1A1CYP2C19CYP3A4
SCHEMBL10691434 0.81 RECQL (0.41) RECQLHTTCSNK1EALDH1A1CNR2
SCHEMBL23169058 0.81 CYSLTR2 (0.47) RECQLHTTCSNK1EALDH1A1CYSLTR2
SCHEMBL22358954 0.81 CYSLTR2 (0.47) RECQLHTTCSNK1EALDH1A1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115023-B2 Benzo lipoxin analogues UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-14 US disclosed
US-20100152290-A1 Benzo Lipoxin Analogues UNIVERSITY OF SOUTHERN CALIFORNIA 2010-06-17 US disclosed
US-7683193-B2 Inflammation, autoimmune disease and abnormal cell proliferation; analogs of 15-epi-lipoxin A4; e.g. (5S,6R,E)-methyl 5,6-dihydroxy-8-(2-(1-hydroxyhexyl)phenyl)oct-7-enoate UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-03-23 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-20100152290-A1 Benzo Lipoxin Analogues ALOX15B, ALOX12, ALOX15 RECQL 1089/4885HTT 2086/4885TSHR 2209/4885

“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.