SCHEMBL4473657

SCHEMBL4473657

COC(=O)Cc1c[nH]c2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
HTR2A P28223 1/20 0.54
HTR2B P41595 1/20 0.54
ALDH1A1 P00352 6/20 0.52
GLA P06280 3/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 3/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
KDM4E B2RXH2 5/20 0.52
GAA P10253 1/20 0.52
TYR P14679 1/20 0.52
NR4A1 P22736 1/20 0.50
EGFR P00533 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL853729 0.88 NPSR1 (0.68) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL5175380 0.86 PKM (0.68) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL15323543 0.86 HTR2C (0.58) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL14564356 0.85 NR4A2 (0.58) HTR2AALDH1A1GLALMNANPSR1
SCHEMBL6017393 0.85 HTR2C (0.50) HTR2CHTR2AHTR2BALDH1A1GLA
SCHEMBL30049244 0.84 NR4A2 (0.59) ALDH1A1LMNATSHRKDM4ENPC1
SCHEMBL28836424 0.84 GPR84 (0.58) HTR2AALDH1A1LMNATSHRNPC1
SCHEMBL841091 0.84 NR4A2 (0.59) ALDH1A1LMNATSHRKDM4ENPC1
SCHEMBL498040 0.84 CHRNB2 (0.56) ALDH1A1LMNAKDM4EEGFRNPC1
SCHEMBL29506986 0.84 CHRNB2 (0.56) ALDH1A1LMNAKDM4EEGFRNPC1

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
WO-2020045982-A1 SUBSTITUTED INDOLE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PPARα, PPARγ, AND PPARδ 숙명여자대학교산학협력단 2020-03-05 WO disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG HTR2C 326/4885HTR2A 177/4885HTR2B 485/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD HTR2C 2015/4885HTR2A 1850/4885HTR2B 1955/4885

“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.