SCHEMBL2491622

SCHEMBL2491622

COc1ccccc1-c1cccc(COCCCN)c1-c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CHRM2 P08172 1/20 0.40
TOP2A P11388 1/20 0.40
IDO1 P14902 3/20 0.40
HTR7 P34969 2/20 0.38
APP P05067 1/20 0.37
HTR1B P28222 1/20 0.37
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
DPP4 P27487 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2495623 0.93 TAAR1 (0.46) TAAR1CHRM2IDO1HTR7APP
SCHEMBL2489505 0.86 HTR7 (0.38) IDO1HTR7APPACHEBCHE
SCHEMBL16268547 0.85 APP (0.46) TAAR1CHRM2IDO1HTR7APP
SCHEMBL2491930 0.83 ALDH1A1 (0.44) IDO1HTR7APPCD274ALDH1A1
SCHEMBL2491638 0.81 TAAR1 (0.38) TAAR1TOP2AHTR7HTR1BDPP4
SCHEMBL2491327 0.79 IDO1 (0.38) TAAR1IDO1HTR1BALDH1A1MAPK1
SCHEMBL2495001 0.74 TAAR1 (0.40) TAAR1HTR7CD274SMN1; SMN2MAPT
SCHEMBL2494538 0.73 IDO1 (0.40) TAAR1IDO1HTR7CD274SMN1; SMN2
SCHEMBL2790921 0.72 IDO1 (0.50) TAAR1CHRM2IDO1HTR7APP
SCHEMBL22425880 0.72 TAAR1 (0.47) TAAR1CHRM2IDO1CD274SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 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 (3 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH TAAR1 225/4885CHRM2 488/4885TOP2A 4367/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TAAR1 194/4885CHRM2 292/4885TOP2A 4482/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TAAR1 225/4885CHRM2 277/4885TOP2A 4450/4885

“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.