SCHEMBL67952

SCHEMBL67952

CCC(C(=O)O)=C(CC)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 4/20 0.43
ESR1 P03372 2/20 0.43
HIF1A Q16665 2/20 0.43
DRD1 P21728 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
NR1I2 O75469 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
NR3C1 P04150 1/20 0.43
FYN P06241 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL2569296 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
SCHEMBL4613506 0.86 CES2 (0.50) SMN1; SMN2ESR1MAPTPGRPTGS2
SCHEMBL6438561 0.85 TSHR (0.60) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
Benzoic Acid SCHEMBL11306418 0.79 TSHR (0.61) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
SCHEMBL6659653 0.78 ESR1 (0.67) ESR1PGRESR2
SCHEMBL5692961 0.78 ESR1 (0.75) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
SCHEMBL5692963 0.78 ESR1 (0.75) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL27306913 0.75 TSHR (0.75) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
Diethylstilbestrol SCHEMBL28910780 0.73 ESR1 (0.68) ALDH1A1TSHRTP53SMN1; SMN2KMT2A
SCHEMBL3811247 0.73 ESR1 (0.78) ALDH1A1TSHRTP53SMN1; SMN2KMT2A

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ALDH1A1 1882/4885TSHR 3263/4885TP53 1492/4885

“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.