SCHEMBL2491941

SCHEMBL2491941

OCCOCc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
IDO1 P14902 2/20 0.35
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.32
MAOB P27338 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
DHPS P49366 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL2493517 0.91 GBA1 (0.35) CHRM3IDO1PDCD1CD274PDK2
SCHEMBL2494538 0.86 IDO1 (0.40) CHRM3IDO1CD274PDK2ALDH1A1
SCHEMBL2491327 0.84 IDO1 (0.38) IDO1PDK2ALDH1A1MAOBGBA1
SCHEMBL10847719 0.80 IDO1 (0.53) CHRM3IDO1ALDH1A1MAPTMAOB
SCHEMBL2493864 0.80 ALDH1A1 (0.36) IDO1PDCD1CD274PDK2ALDH1A1
SCHEMBL2491945 0.79 FFAR1 (0.36) CHRM3PDCD1CD274PDK2ALDH1A1
SCHEMBL2491930 0.77 ALDH1A1 (0.44) IDO1CD274ALDH1A1MAPTL3MBTL1
SCHEMBL29135268 0.74 CHRM3 (0.35) CHRM3IDO1ALDH1A1MAOBLMNA
SCHEMBL2491973 0.73 MPO (0.44) PDCD1CD274ALDH1A1
SCHEMBL8871794 0.72 TACR1 (0.50) PDCD1CD274ALDH1A1GBA1UGCG

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-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 CHRM3 902/4885IDO1 275/4885PDCD1 3586/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CHRM3 655/4885IDO1 267/4885PDCD1 3433/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CHRM3 661/4885IDO1 320/4885PDCD1 3271/4885

“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.