SCHEMBL13216610

SCHEMBL13216610

COC(=O)C1=C(C(=O)OC)C2C1C1CC2[C@H](C(=O)O)[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A3 Q01959 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL3020896 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBTDP1HTT
SCHEMBL18912877 0.84 HTT (0.33) ALDH1A1KDM4EPOLBTDP1HTT
SCHEMBL18906498 0.76 HTT (0.32) ALDH1A1HTTLMNANPSR1TP53
SCHEMBL12732743 0.72 PPM1B (0.52) ALDH1A1POLBTDP1HTTHPGD
SCHEMBL432536 0.69 POLB (0.57) ALDH1A1KDM4EPOLBTDP1HTT
SCHEMBL29488848 0.68 PPM1B (0.52) ALDH1A1POLBTDP1HTTHPGD
SCHEMBL12927846 0.68 PPM1B (0.47) ALDH1A1POLBTDP1HTTHPGD
SCHEMBL6321820 0.67 TDP1 (0.40) KDM4EPOLBTDP1HTTLMNA
SCHEMBL2705426 0.67 SMN1; SMN2 (0.50) ALDH1A1KDM4EPOLBTDP1HTT
SCHEMBL12763440 0.66 POLB (0.48) ALDH1A1KDM4EPOLBTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210765-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION, PRODUCTION METHOD OF SEMICONDUCTOR DEVICE USING THE SAME, AND ADDITIVE FOR RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-19 — — 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-20100210765-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION, PRODUCTION METHOD OF SEMICONDUCTOR DEVICE USING THE SAME, AND ADDITIVE FOR RESIST UNDERLAYER FILM-FORMING COMPOSITION EXOC1, EPCAM, EXOC4 ALDH1A1 4787/4885KDM4E 747/4885POLB 1243/4885

“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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