SCHEMBL2495602

SCHEMBL2495602

CCCOc1ccccc1[CH]c1ccccc1OCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NLRP1 Q9C000 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TLR8 Q9NR97 1/20 0.42
MCHR1 Q99705 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2492275 0.89 CYP1A2 (0.60) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL5248162 0.88 ALDH1A1 (0.46) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL3200496 0.85 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL27533288 0.85 ALDH1A1 (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL2488791 0.84 ALDH1A1 (0.54) ALDH1A1HTTHPGDSMN1; SMN2MEN1
1,2-Dipropoxybenzene SCHEMBL29428926 0.84 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
1,2-Dipropoxybenzene SCHEMBL578657 0.84 CYP1A2 (0.56) ALDH1A1HTTMEN1KMT2ACYP1A2
SCHEMBL2098846 0.83 HPGD (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL30920025 0.83 ALDH1A1 (0.77) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL812635 0.83 ALDH1A1 (0.77) ALDH1A1HTTHPGDSMN1; SMN2MEN1

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 1292/4885HTT 1217/4885HPGD 1749/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885HTT 946/4885HPGD 1563/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885HTT 989/4885HPGD 1618/4885

“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.