SCHEMBL2492756

SCHEMBL2492756

COc1ccccc1-c1cccc(CNCCCO)c1-c1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.54
BCHE P06276 5/20 0.54
ACHE P22303 5/20 0.54
CHRM4 P08173 5/20 0.54
CHRM5 P08912 5/20 0.54
CHRM1 P11229 5/20 0.54
CHRM3 P20309 5/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2A Q12879 4/20 0.54
RECQL P46063 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
THPO P40225 1/20 0.54
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52

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
SCHEMBL2488729 0.92 KDM4E (0.55) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL4255410 0.83 CHRM2 (0.76) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL2494466 0.82 HTR1A (0.53) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL2491886 0.80 SCN8A (0.50) CHRM2TSHRMEN1KMT2AMPO
SCHEMBL2489505 0.77 HTR7 (0.38) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL2494414 0.77 MPO (0.47) ACHETSHRMEN1KMT2AMPO
SCHEMBL2491930 0.74 ALDH1A1 (0.44) TSHRMAPTNPSR1
SCHEMBL3130483 0.74 CHRM2 (0.70) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL16268547 0.72 APP (0.46) CHRM2CHRM1RECQLCYP3A4CYP2D6
SCHEMBL2490782 0.71 CD274 (0.47) CHRM2SCN8A

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 CHRM2 488/4885BCHE 2967/4885ACHE 3093/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CHRM2 292/4885BCHE 2588/4885ACHE 2968/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CHRM2 277/4885BCHE 2846/4885ACHE 2992/4885

“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.