SCHEMBL2490789

SCHEMBL2490789

Oc1ccccc1C(c1ccccc1O)(c1ccccc1O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
ADRB1 P08588 4/20 0.38
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HTR5A P47898 3/20 0.36
CYP1A2 P05177 2/20 0.36
HTR1A P08908 2/20 0.36

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
SCHEMBL2491597 0.90 CHRM2 (0.40) ALDH1A1TSHRTDP1SLC6A4SLC6A2
SCHEMBL2489521 0.82 ALDH1A1 (0.45) ALDH1A1TSHRTDP1KDM4EHSD17B10
SCHEMBL2492358 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTDP1KDM4EHSD17B10
SCHEMBL2488564 0.78 ADRB1 (0.55) TSHRSLC6A4SLC6A2SIGMAR1ADRB1
SCHEMBL2494066 0.74 HTR3A (0.54) SLC6A4SLC6A2SLC6A3SIGMAR1ADRB1
SCHEMBL569963 0.72 SIGMAR1 (0.48) ALDH1A1TSHRSIGMAR1ADRB1HTR3E
SCHEMBL2492127 0.71 CYP2B6 (0.49) ALDH1A1TSHRTDP1SIGMAR1KDM4E
SCHEMBL9090858 0.71 SIGMAR1 (0.47) ALDH1A1TSHRSIGMAR1ADRB1HTR3E
SCHEMBL8411629 0.71 SIGMAR1 (0.47) ALDH1A1TSHRSIGMAR1ADRB1HTR3E
SCHEMBL2490791 0.69 HTR5A (0.39) ALDH1A1TSHRSLC6A4SLC6A2SLC6A3

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 ALDH1A1 1292/4885TSHR 100/4885TDP1 2051/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885TSHR 75/4885TDP1 2151/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885TSHR 68/4885TDP1 2238/4885

“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.