SCHEMBL2494066

SCHEMBL2494066

COc1ccccc1C(c1ccccc1OC)(c1ccccc1OC)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.54
DRD2 P14416 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
HTR6 P50406 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTR7 P34969 6/20 0.49
HTR1A P08908 3/20 0.44
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2490245 0.91 HTR3A (0.49) HTR3ADRD2SIGMAR1HTR3EHTR3B
SCHEMBL2489244 0.84 HRH3 (0.44) DRD2SIGMAR1CYP2C19DRD3CYP2D6
SCHEMBL10502689 0.84 HTR3A (0.51) HTR3ADRD2SIGMAR1HTR3EHTR3B
SCHEMBL2492805 0.83 HRH3 (0.42) DRD2CYP2C19DRD3MAPTCYP2D6
Hydrochloric Acid SCHEMBL15559244 0.83 LMNA (0.53) HTR3ADRD2SIGMAR1HTR3EHTR3B
SCHEMBL28021014 0.79 HTR3A (0.47) HTR3ADRD2SIGMAR1HTR3EHTR3B
SCHEMBL2488564 0.77 ADRB1 (0.55) HTR3ASIGMAR1HTR3EHTR3BADRB1
SCHEMBL8883004 0.76 HTR3A (0.43) HTR3ADRD2SIGMAR1HTR3EHTR3B
SCHEMBL2492739 0.75 CYP2B6 (0.46) DRD2CYP2C19DRD3CYP2D6
SCHEMBL2494623 0.74 CYP2B6 (0.49) CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
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 HTR3A 268/4885DRD2 2644/4885SIGMAR1 394/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 HTR3A 177/4885DRD2 2128/4885SIGMAR1 491/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R HTR3A 217/4885DRD2 2120/4885SIGMAR1 486/4885

“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.