SCHEMBL2494565

SCHEMBL2494565

CCCCc1ccc(C(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTR2A P28223 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48

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
SCHEMBL7919068 0.90 ESR1 (0.66) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL22050366 0.90 HTR2A (0.50) CA2CA1ALDH1A1HSD17B10HTR2A
SCHEMBL2491588 0.85 LPL (0.48) CA2HTR2APLK1LPLLIPG
SCHEMBL83869 0.84 CA2 (0.65) CA2CA1ALDH1A1HSD17B10HTR2A
SCHEMBL7922249 0.84 PTGS2 (0.75) ALDH1A1HSD17B10HTR2ASMN1; SMN2ESR1
SCHEMBL382808 0.84 HTR2A (0.73) ALDH1A1HSD17B10HTR2AESR1ADRA2A
SCHEMBL4055722 0.84 CA2 (0.55) CA2CA1ALDH1A1HSD17B10HTR2A
SCHEMBL8090819 0.84 UCHL3 (0.56) CA2CA1ALDH1A1HSD17B10HTR2A
SCHEMBL9621454 0.84 CA2 (0.50) CA2CA1ALDH1A1HSD17B10HTR2A
SCHEMBL13976654 0.84 CA2 (0.43) CA2CA1ALDH1A1HSD17B10HTR2A

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 CA2 333/4885CA1 2856/4885ALDH1A1 1292/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CA2 337/4885CA1 2767/4885ALDH1A1 1031/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CA2 356/4885CA1 2762/4885ALDH1A1 1187/4885

“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.