SCHEMBL3099172

SCHEMBL3099172

CC(Cc1ccc2c(c1)OCO2)(C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL1717641 0.88 CYP3A4 (0.56) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6718864 0.85 CYP3A4 (0.57) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13957646 0.85 CYP3A4 (0.57) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8871858 0.84 CYP3A4 (0.59) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL8497944 0.83 CYP3A4 (0.58) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29043644 0.82 ALDH1A1 (0.54) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL2733034 0.80 TAAR1 (0.55) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL10576326 0.79 ALDH1A1 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL10576319 0.79 ALDH1A1 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9149607 0.79 ALDH1A1 (0.50) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858934-B1 METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2013-04-24 EP disclosed
US-7803887-B2 Metallocene compounds BASELL POLYOLEFINE GMBH (DE) 2010-09-28 US disclosed
US-20090221772-A1 Bridged bis indenyl ligands where the indene ring is further fused to an oxygen or sulfur-containing ring, such as mu -{Bis-[ eta 5-8-(4-tert-butylphenyl)-6-methyl-5H-indeno[5,6-a][1,3]dioxol-5-yl]dimethylsilanediyl}dichlorozirconium; olefin polymerization catalysts; very high molecular weight BASELL POLYLEFINE GMBH (DE) 2009-09-03 US disclosed
EP-1858934-A1 METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2007-11-28 EP disclosed
WO-2006097500-A1 METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2006-09-21 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 (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-20090221772-A1 Bridged bis indenyl ligands where the indene ring is further fused to an oxygen or sulfur-containing ring, such as mu -{Bis-[ eta 5-8-(4-tert-butylphenyl)-6-methyl-5H-indeno[5,6-a][1,3]dioxol-5-yl]dimethylsilanediyl}dichlorozirconium; olefin polymerization catalysts; very high molecular weight LTC4S, HMOX1, OPRM1 CYP3A4 723/4885ALDH1A1 2635/4885CYP1A2 305/4885

“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.