SCHEMBL2488720

SCHEMBL2488720

Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)N2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CYP2B6 P20813 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HRH1 P35367 1/20 0.35
FKBP1A P62942 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2494381 0.98 CYP2B6 (0.44) TSHRCYP2B6HRH3MEN1KMT2A
SCHEMBL2489520 0.90 CYP2B6 (0.56) TSHRCYP2B6HRH3MEN1KMT2A
SCHEMBL12199488 0.90 CYP2B6 (0.56) TSHRCYP2B6HRH3MEN1KMT2A
SCHEMBL12199483 0.86 ACHE (0.50) HRH3MEN1KMT2AALDH1A1ACHE
SCHEMBL12225851 0.86 ACHE (0.50) HRH3MEN1KMT2AALDH1A1ACHE
SCHEMBL2488565 0.81 ADRB1 (0.52) TSHRALDH1A1HPGD
SCHEMBL12199479 0.80 CYP2B6 (0.46) CYP2B6MEN1KMT2AALDH1A1ACHE
SCHEMBL8354616 0.80 CYP2B6 (0.64) TSHRCYP2B6HRH3MEN1KMT2A
SCHEMBL8354397 0.78 CYP2B6 (0.68) TSHRCYP2B6HRH3MEN1KMT2A
SCHEMBL2489523 0.77 ESR1 (0.41) TSHRCYP2B6MEN1KMT2AALDH1A1

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 7 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
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 TSHR 100/4885CYP2B6 105/4885HRH3 62/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TSHR 75/4885CYP2B6 100/4885HRH3 34/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TSHR 68/4885CYP2B6 110/4885HRH3 38/4885

“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.