SCHEMBL2492358

SCHEMBL2492358

Oc1ccccc1C(c1ccccc1O)(c1ccccc1O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 4/20 0.43
GAA P10253 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP2B6 P20813 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 5/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HIF1A Q16665 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2489521 0.98 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL2492127 0.89 CYP2B6 (0.49) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL2480299 0.84 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL2490789 0.81 ALDH1A1 (0.41) ALDH1A1TDP1TSHRHPGDHSD17B10
SCHEMBL2494378 0.76 CYP2B6 (0.46) ALDH1A1TDP1TSHRMAPTHPGD
SCHEMBL2488716 0.73 CYP2B6 (0.42) ALDH1A1TDP1TSHRMAPTHSD17B10
SCHEMBL2491597 0.72 CHRM2 (0.40) ALDH1A1TDP1TSHRMAPTHSD17B10
SCHEMBL2492805 0.72 HRH3 (0.42) ALDH1A1TDP1TSHRMAPTHSD17B10
SCHEMBL19296941 0.70 CYP2B6 (0.63) TDP1TSHRHPGDMEN1KMT2A
SCHEMBL2491599 0.70 CYP2B6 (0.63) TDP1TSHRHPGDMEN1KMT2A

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

“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.