SCHEMBL15445253

SCHEMBL15445253

COCOC1(c2ccc(Br)cc2)CCC(C)(c2ccc(-c3ccc(C4(C)CCC(OCOC)(c5ccc(-c6ccc(-c7ccc(C8(OCOC)CCC(OCOC)(c9ccc(-c%10ccc(C%11(OCOC)CCC(OCOC)(c%12ccc(Br)cc%12)CC%11)cc%10)cc9)CC8)cc7)cc6)cc5)CC4)cc3)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL15445250 1.00 TAAR1 (0.31) TAAR1
SCHEMBL15445249 1.00 TAAR1 (0.31) TAAR1
SCHEMBL14700457 1.00 TAAR1 (0.31) TAAR1
SCHEMBL14700454 1.00 TAAR1 (0.31) TAAR1
SCHEMBL15445251 1.00 TAAR1 (0.31) TAAR1
SCHEMBL14700532 0.96 TAAR1 (0.33) TAAR1
SCHEMBL15451145 0.93 ALDH1A1 (0.32)
SCHEMBL12526896 0.93 ALDH1A1 (0.32)
SCHEMBL14700474 0.93
SCHEMBL15445256 0.93

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-9527737-B2 Carbon nanotube manufacturing method NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-12-27 US disclosed
US-9266909-B2 Cyclic compound containing functional group or containing no functional group, and method for producing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-02-23 US disclosed
US-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-05-07 US disclosed
US-20140030183-A1 CARBON NANOTUBE MANUFACTURING METHOD NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-30 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-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME CYP1B1, BCR, DDT TAAR1 1295/4885

“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.