SCHEMBL3341965

SCHEMBL3341965

COC(=O)c1cnc(-c2cccc(F)c2F)cc1Oc1ccc(OC)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
SCN9A Q15858 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
DHODH Q02127 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3342056 0.92 NPC1 (0.41) MAPK8MAPK10NPC1RAB9ASCN9A
SCHEMBL3342486 0.91 DHODH (0.42) MAPK8MAPK10NPC1RAB9ASCN8A
SCHEMBL3343333 0.88 SCN9A (0.41) NPC1RAB9ASCN9AKDM4EALDH1A1
SCHEMBL3342890 0.85 SCN9A (0.43) NPC1SCN9AKDM4EALDH1A1MAPK1
SCHEMBL3347867 0.83 NPC1 (0.42) NPC1RAB9ASCN9AKDM4EDHODH
SCHEMBL3341989 0.81 TGFBR1 (0.41) MAPK8NPC1RAB9ASCN9AKDM4E
SCHEMBL3341930 0.81 SCN8A (0.41) MAPK8MAPK10SCN8ASCN10ASCN9A
SCHEMBL3343592 0.77 KMO (0.46) NPC1RAB9ASCN9AALDH1A1DHODH
SCHEMBL3762159 0.77 KDM4E (0.42) MAPK8MAPK10KDM4EMRGPRX4CYP2D6
SCHEMBL3343792 0.75 DHODH (0.42) SCN9AMRGPRX4DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 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 (1 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG MAPK8 1560/4885MAPK10 848/4885NPC1 823/4885

“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.