SCHEMBL4864533

SCHEMBL4864533

O=C(Cl)c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
ACMSD Q8TDX5 3/20 0.50
HNF4A P41235 2/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
DHFR P00374 1/20 0.46
MCL1 Q07820 1/20 0.46
DCLRE1A Q6PJP8 1/20 0.45
DCLRE1B Q9H816 1/20 0.45
RARB P10826 2/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
IKBKB O14920 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AXL P30530 1/20 0.43
ACLY P53396 1/20 0.43
KAT6A Q92794 1/20 0.42

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
SCHEMBL24355022 0.86 DCLRE1B (0.51) ALDH1A1ALOX15DCLRE1BDHODH
SCHEMBL17491075 0.85 KDM4E (0.47) ALDH1A1ALOX15AKR1C2AKR1C1RARB
SCHEMBL121429 0.85 ACMSD (0.63) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL31725051 0.85 ACMSD (0.63) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL21199826 0.85 ALDH1A1 (0.50) ALDH1A1ALOX15AKR1C2RARBRARA
SCHEMBL11037121 0.82 ACMSD (0.55) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL205752 0.82 ROCK2 (0.48) ALDH1A1ALOX15RARBRARARARG
SCHEMBL30837210 0.81 MAPT (0.52) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL13927718 0.81 IKBKB (0.61) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL30131431 0.81 IKBKB (0.61) ACMSDHNF4AAKR1C2AKR1C1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
WO-2007107005-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE, INC. (CA) 2007-09-27 WO disclosed
WO-2007107005-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE, INC. (CA) 2007-09-27 WO disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 ALDH1A1 251/4885ALOX15 1405/4885ACMSD 1945/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885ALOX15 4095/4885ACMSD 4877/4885

“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.