SCHEMBL3965175

SCHEMBL3965175

CCOC(Cc1cccc(Br)c1)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAOB P27338 5/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
PYCR1 P32322 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL20278339 0.84 TAAR1 (0.49) IDO1AGXTCYP1A2CYP2D6CYP2C19
SCHEMBL17241276 0.82 IDO1 (0.49) IDO1AGXTMAOBTAAR1
SCHEMBL5761123 0.78 IDO1 (0.47) IDO1AGXTMAOBTAAR1PPARG
SCHEMBL2197431 0.76 IDO1 (0.46) IDO1AGXTCYP1A2CYP2D6CYP2C19
SCHEMBL6311891 0.76 TAAR1 (0.64) IDO1AGXTMAOBTAAR1SIGMAR1
SCHEMBL13516238 0.76 PPARA (0.42) IDO1TAAR1SIGMAR1PPARGPPARA
SCHEMBL30138659 0.76 SIGMAR1 (0.53) IDO1AGXTCYP1A2CYP2D6CYP2C19
SCHEMBL1513595 0.76 SIGMAR1 (0.53) IDO1AGXTCYP1A2CYP2D6CYP2C19
SCHEMBL3133598 0.76 TAAR1 (0.54) IDO1AGXTCYP1A2CYP2D6CYP2C19
SCHEMBL113325 0.76 TAAR1 (0.48) CYP2D6TAAR1SIGMAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US disclosed
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed
CN-114507202-B Phellinin compound and preparation method and application thereof 海南大学 2023-10-03 CN disclosed
CN-114507202-A Morusin compound and preparation method and application thereof 海南大学 2022-05-17 CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO 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 (2 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-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS ACHE, BCHE, DDT IDO1 596/4885AGXT 323/4885CYP1A2 1974/4885
US-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 IDO1 890/4885AGXT 3471/4885CYP1A2 603/4885

“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.