SCHEMBL811573

SCHEMBL811573

O=C(OCCCCOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
ESR1 P03372 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PDE4D Q08499 1/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL811557 0.98 GAA (0.70) GAATDP1TSHRLMNACYP1A2
SCHEMBL18668969 0.93 GAA (0.64) GAATDP1TSHRLMNACYP1A2
SCHEMBL811579 0.91 GAA (0.66) GAATDP1TSHRLMNACYP1A2
SCHEMBL14926612 0.91 GAA (0.67) GAATDP1TSHRLMNACYP1A2
SCHEMBL6057260 0.91 ALDH1A1 (0.69) GAATSHRLMNACYP1A2CYP2C19
SCHEMBL6505940 0.91 GAA (0.62) GAATDP1TSHRLMNACYP1A2
SCHEMBL6511111 0.89 GAA (0.60) GAATDP1TSHRLMNACYP1A2
SCHEMBL7517603 0.89 ALDH1A1 (0.71) GAATSHRLMNACYP1A2CYP2C19
SCHEMBL5710046 0.89 ALDH1A1 (0.71) GAATSHRLMNACYP1A2CYP2C19
SCHEMBL27695864 0.89 ALDH1A1 (0.71) GAATSHRLMNACYP1A2CYP2C19

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-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 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 (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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 GAA 2604/4885TDP1 4003/4885TSHR 185/4885

“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.