SCHEMBL7690118

SCHEMBL7690118

C=CCOC(=O)C(C(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.36
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10830642 0.90 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1042982 0.90 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL14745750 0.80 CYP3A4 (0.45) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL5065076 0.79 MAPT (0.36) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL440465 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL3459899 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL6483817 0.75 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL5227209 0.75 TDP1 (0.41) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1012864 0.74 ALDH1A1 (0.46) TDP1MAPTALDH1A1HSD17B10MEN1
SCHEMBL2524519 0.73 TDP1 (0.40) TDP1TSHRCYP3A4MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956456-B Preparation method of reversible cross-linking water-soluble polyester with side chain containing sulfhydryl group 大连理工常熟研究院有限公司 2023-09-05 CN claimed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 US disclosed
US-4565879-A Process for producing substituted pyrroles ETHYL CORPORATION (US) 1986-01-21 US disclosed
EP-0089392-A1 Process for producing substituted pyrroles ETHYL CORPORATION (US) 1983-09-28 EP disclosed
US-4374255-A BY REACTION OF A CHLOROMETHYL LOWERALKYL KETONE, A DILOWERALKYL ACETONE DICARBOXYLATES AND AN AMINE IN THE PRESENCE OF A LOWER ALKANOL ETHYL CORPORATION (US) 1983-02-15 US disclosed
WO-1982002044-A1 PREPARATION OF PYRROLE ESTERS ETHYL CORP (US) 1982-06-24 WO disclosed
EP-0054428-A1 Preparation of pyrrole esters ETHYL CORPORATION (US) 1982-06-23 EP disclosed
US-4333878-A MAKING 1,4-DIALKYLPYRROLE DIESTERS FROM 2-HYDROCARBOXY-1-NITROALKANE AND ENAMINE OF DIALKYL ACETONE DICARBOXYLATE ETHYL CORPORATION (US) 1982-06-08 US disclosed
WO-1982001552-A1 PROCESS FOR PRODUCING SUBSTITUTED PYRROLES ETHYL CORP (US) 1982-05-13 WO disclosed
EP-0051442-A1 Process for producing substituted pyrroles ETHYL CORPORATION (US) 1982-05-12 EP disclosed
US-3963775-A FROM KETENE AND PHOSGENE AKZONA INCORPORATED (US) 1976-06-15 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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO TDP1 3149/4885TSHR 4144/4885CYP3A4 317/4885

“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.