SCHEMBL3104357

SCHEMBL3104357

O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
TSHR P16473 4/20 0.77
KMT2A Q03164 4/20 0.77
LMNA P02545 2/20 0.77
HSD17B10 Q99714 2/20 0.77
GFER P55789 1/20 0.77
MAPT P10636 4/20 0.69
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
HPGD P15428 4/20 0.65
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HTT P42858 2/20 0.65
MAPK1 P28482 1/20 0.65
MEN1 O00255 2/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL29918269 0.87 KMT2A (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL108225 0.85 ALDH1A1 (0.90) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL10341777 0.82 HSP90AA1 (0.85) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL7972593 0.81 ALDH1A1 (0.62) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL10729478 0.81 ALDH1A1 (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL7263612 0.81 ALDH1A1 (0.68) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL5970063 0.79 HPGD (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL21535895 0.79 KMT2A (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL244547 0.78 HPGD (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10
SCHEMBL13486221 0.78 HPGD (1.00) ALDH1A1TSHRKMT2ALMNAHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US claimed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 US disclosed
US-9162984-B2 Small-molecule modulators of melanin expression UNIVERSITY OF ROCHESTER (US) 2015-10-20 US disclosed
US-9162984-B2 Small-molecule modulators of melanin expression UNIVERSITY OF ROCHESTER (US) 2015-10-20 US disclosed
US-9162984-B2 Small-molecule modulators of melanin expression UNIVERSITY OF ROCHESTER (US) 2015-10-20 US disclosed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US disclosed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US disclosed
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2010-09-16 US disclosed
WO-2008121850-A2 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIVERSITY OF ROCHESTER (US) 2008-10-09 WO 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 (2 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-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION TYR, MITF, MC1R ALDH1A1 737/4885TSHR 1470/4885KMT2A 2958/4885
US-20100233106-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION TYR, MITF, MC1R ALDH1A1 737/4885TSHR 1470/4885KMT2A 2958/4885

“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.