SCHEMBL7759802

SCHEMBL7759802

CC(=O)OCCC(O)COC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ USP2 O75604 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ CHRM5 P08912 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ TBXA2R P21731 1/20 0.41

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
SCHEMBL14700477 0.89 ALOX15 (0.43) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL15875781 0.88 ALOX15 (0.48) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL3841838 0.87 ALDH1A1 (0.42) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL12698769 0.83 TSHR (0.52) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL304203 0.83 TDP1 (0.54) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL17683528 0.82 ALDH1A1 (0.41) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL16146973 0.82 USP2 (0.45) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL14700391 0.82 ALDH1A1 (0.45) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL7700789 0.82 ALOX15 (0.44) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL1054275 0.82 ALDH1A1 (0.48) ALDH1A1USP2CYP3A4MAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802352-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-12 — — US disclosed
US-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 — — US disclosed
EP-0639586-B1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR (FR) 2001-03-21 — — EP disclosed
US-5608045-A DISODIUM SALT BY POT REACTING RHAMNOSE TRIACETATE WITH PHENYL DICHLOROPHOSPHATE IN PRESENCE OF TRIETHYLAMINE AND WITH /S/LEU-/S/TRP-OET IN SOLVENT, SAPONIFYING SEPARATED PRODUCT WITH ETHANOLIC BASE IN COLD, EVAPORATING ETHANOL ADIR ET COMPAGNIE (FR) 1997-03-04 — — US disclosed
US-5591728-A ENZYME INHIBITORS WITH AMIDE AND ESTER GROUPS ADIR ET COMPAGNIE (FR) 1997-01-07 — — US disclosed
US-5481030-A USED AS AN ENDOTHELIN CONVERTASE INHIBITOR ADIR ET COMPAGNIE (FR) 1996-01-02 — — US disclosed
EP-0639586-A1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1995-02-22 — — 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 (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-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN CRY1, H1-0, SPIN1 ALDH1A1 1898/4885USP2 3825/4885CYP3A4 3928/4885

“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.

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