SCHEMBL12199461

SCHEMBL12199461

NC(c1ccccc1)C1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
OPRL1 P41146 4/20 0.33
IDO1 P14902 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL14627615 0.84 DPP4 (0.45) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL13077266 0.84 DPP4 (0.45) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL3469048 0.84 DPP4 (0.45) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL2738406 0.81 KDM4E (0.43) DPP4F2ADRA2AADRA2C
SCHEMBL21554360 0.80 DPP4 (0.41) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL14479727 0.78 SIGMAR1 (0.34) SIGMAR1
SCHEMBL21165081 0.78 EPHX1 (0.38) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL20311848 0.77 AOC3 (0.33) CYP3A4CYP1A2TSHRHSD17B10
SCHEMBL18726338 0.76 CYP2D6 (0.35) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL5948196 0.75 HRH1 (0.43) CYP3A4CYP1A2CYP2D6TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US 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
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-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
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
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 (4 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP3A4 2805/4885CYP1A2 1369/4885CYP2D6 1573/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH CYP3A4 115/4885CYP1A2 28/4885CYP2D6 141/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP3A4 106/4885CYP1A2 28/4885CYP2D6 116/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CYP3A4 104/4885CYP1A2 27/4885CYP2D6 137/4885

“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.