SCHEMBL9082145

SCHEMBL9082145

CCOC(=O)Cc1ccc(C(=O)O)cc1CC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL13719241 0.89 EPHX2 (0.46) HRH3TSHRPKMHTTCYP2C9
SCHEMBL27792952 0.87 HRH3 (0.43) HRH3TSHRPKMSMN1; SMN2HTT
SCHEMBL28898278 0.79 RXRA (0.46) PKMSMN1; SMN2MAPTEGFRLMNA
SCHEMBL9081693 0.78 LMNA (0.47) PKMSMN1; SMN2MAPTHTTEGFR
SCHEMBL16731569 0.78 KMT2A (0.49) PKMSMN1; SMN2MAPTHTTLMNA
SCHEMBL6862344 0.78 L3MBTL1 (0.49) TSHRPKMSMN1; SMN2MAPTLMNA
SCHEMBL6393097 0.77 ALDH1A1 (0.57) PKMSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL23115223 0.77 MEN1 (0.46) TSHRSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL3410566 0.77 PTGDR2 (0.48) TSHRCA12CA1CA2CA7
SCHEMBL6208833 0.76 CYP4Z1 (0.43) PKMSMN1; SMN2MAPTEGFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2007-06-21 — — US disclosed
US-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2007-06-21 — — US disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO 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-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING TNNI3, TNNT2, TNNC1 HRH3 2569/4885TSHR 2938/4885PKM 1341/4885

“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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