SCHEMBL2492275

SCHEMBL2492275

CCCCOc1ccccc1[CH]c1ccccc1OCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
LTA4H P09960 2/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL2495602 0.89 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL3199007 0.86 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
1,2-Dibutoxybenzene SCHEMBL1226749 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
1,2-Dibutoxybenzene SCHEMBL29428927 0.84 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL195416 0.84 ALDH1A1 (0.74) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL195306 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL4642313 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL406835 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL2488791 0.83 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL29673014 0.82 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD

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 CYP1A2 28/4885CYP2C9 19/4885CYP2C19 12/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP1A2 28/4885CYP2C9 21/4885CYP2C19 15/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CYP1A2 27/4885CYP2C9 23/4885CYP2C19 13/4885

“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.