SCHEMBL6503348

SCHEMBL6503348

CCOC(=O)COc1ccc(C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NLRP3 Q96P20 2/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CASP1 P29466 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 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
SCHEMBL29843916 0.87 ESR1 (0.59) ESR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2872663 0.87 TDP1 (0.64) MEN1KMT2ASMN1; SMN2NLRP3NPC1
SCHEMBL2717444 0.85 ESR1 (0.54) ESR1MEN1KMT2ANLRP3HPGD
SCHEMBL1549799 0.85 ESR1 (0.61) ESR1MEN1KMT2AHPGDALDH1A1
SCHEMBL28827968 0.85 HPGD (0.62) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL377848 0.84 ESR1 (0.56) ESR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2719391 0.84 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL5416139 0.84 CYP1A2 (0.68) ESR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3962439 0.84 ESR1 (0.56) ESR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4861445 0.84 MAPK1 (0.57) ESR1MEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330098-A1 COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR , AND PREPARATION METHOD AND USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2011-06-08 EP disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD ESR1 276/4885MEN1 4844/4885KMT2A 3705/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 ESR1 4412/4885MEN1 2624/4885KMT2A 2864/4885
US-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA ESR1 2387/4885MEN1 4822/4885KMT2A 2582/4885

“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.