SCHEMBL3920124

SCHEMBL3920124

Oc1ccccc1OC(Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA2 P00918 2/20 0.43
TP53 P04637 2/20 0.43
CA1 P00915 1/20 0.43
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL10417879 0.79 CA2 (0.50) TSHRCA2TP53CA1GAA
SCHEMBL11233807 0.78 SLC6A2 (0.46) TSHRLMNAMAPTALDH1A1HPGD
SCHEMBL1833212 0.76 CA1 (0.48) TSHRCA2TP53CA1GAA
SCHEMBL18106934 0.76 SLC6A2 (0.50) TSHRTP53LMNACYP3A4ALOX15
SCHEMBL27365592 0.75 CA2 (0.52) TSHRCA2TP53CA1GAA
SCHEMBL4649505 0.72 CA2 (0.43) TSHRCA2TP53CA1GAA
SCHEMBL27395324 0.72 LTA4H (0.48) TSHRCA2CA1LMNACA12
SCHEMBL28863596 0.72 LMNA (0.50) TSHRGAALMNAMAPTALDH1A1
SCHEMBL9021206 0.72 TSHR (0.42) TSHRCA2TP53CA1GAA
SCHEMBL1837438 0.72 TSHR (0.44) TSHRCA2TP53CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-0327455-B1 ALKYL OR BENZYL ETHERS OF PHENOL, PROCESSES FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE DELALANDE S.A. (FR) 1992-09-16 EP disclosed
US-4971995-A INHIBITORS OF MONOAMINE OXIDASE, NEUROLOGICAL DISORDERS, AGING, MEMORY PROBLEMS, SCHIZOPHRENIA, PSYDHAESTHINIA, PARKINSON*S DISEASE DELANDE S.A. (FR) 1990-11-20 US disclosed
EP-0327455-A1 Alkyl or benzyl ethers of phenol, processes for their preparation and their therapeutical use DELALANDE S.A. (FR) 1989-08-09 EP 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD TSHR 387/4885CA2 2952/4885TP53 2984/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG TSHR 569/4885CA2 2721/4885TP53 2294/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD TSHR 365/4885CA2 3332/4885TP53 2920/4885

“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.