SCHEMBL2489517

SCHEMBL2489517

Cc1ccc(CN2CCCCC2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIN2B Q13224 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR7 P34969 1/20 0.43
CHRNA7 P36544 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CACNB4 O00305 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
SCHEMBL6668274 0.80 ADORA2A (0.48) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL2491953 0.79 ALDH1A1 (0.49) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL13681882 0.78 BACE1 (0.56) ALDH1A1KMT2ACYP2D6CYP2C19CYP1A2
SCHEMBL2494582 0.77 ALDH1A1 (0.47) ADORA2AADORA1ALDH1A1KMT2AMEN1
SCHEMBL1164984 0.74 KMT2A (0.70) ALDH1A1KMT2AMEN1CYP2C19KDM4E
SCHEMBL1882777 0.74 KMT2A (0.70) ALDH1A1KMT2AMEN1CYP2C19KDM4E
SCHEMBL13038415 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP2D6CYP2C19
SCHEMBL6796361 0.73 LMNA (0.49) ALDH1A1KMT2AMEN1TSHRKDM4E
SCHEMBL2492125 0.73 TRPV1 (0.46) ADORA2AADORA1ALDH1A1CYP2D6CYP2C19
SCHEMBL2491635 0.73 ADORA2A (0.50) ADORA2AADORA1ALDH1A1KMT2ACYP2D6

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 ADORA2A 2008/4885ADORA1 642/4885ALDH1A1 1292/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ADORA2A 1837/4885ADORA1 637/4885ALDH1A1 1031/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ADORA2A 1851/4885ADORA1 619/4885ALDH1A1 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.