SCHEMBL13008056

SCHEMBL13008056

CCc1cc(CC)cc(OCCCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FFAR1 O14842 6/20 0.46
▸ FFAR4 Q5NUL3 6/20 0.46
▸ PLA2G4B P0C869 1/20 0.44
▸ PLA2G2A P14555 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL28634310 0.91 MCL1 (0.57) MCL1L3MBTL1LMNATSHRFFAR1
SCHEMBL13490816 0.90 FFAR1 (0.54) MCL1FFAR1FFAR4PLA2G2APPARG
SCHEMBL12051638 0.85 RXRA (0.47) FFAR1FFAR4
SCHEMBL13008060 0.83 MAPT (0.47) LMNATSHRPPARGPPARAGAA
SCHEMBL10207287 0.82 LMNA (0.63) L3MBTL1LMNAFFAR1FFAR4PLA2G4B
SCHEMBL2280556 0.78 TSHR (0.57) MCL1L3MBTL1TSHRFFAR1FFAR4
SCHEMBL10207303 0.77 LMNA (0.61) L3MBTL1LMNAFFAR1PLA2G4BPPARA
SCHEMBL24340853 0.76 MAPT (0.50) MCL1L3MBTL1LMNATSHRFFAR1
SCHEMBL10290140 0.76 PLA2G4B (0.59) L3MBTL1LMNAFFAR1PLA2G4BPPARA
SCHEMBL8088521 0.76 PLA2G4B (0.59) L3MBTL1LMNAFFAR1PLA2G4BPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404678-B2 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2013-03-26 — — US disclosed
US-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2010-12-16 — — 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-20100316656-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE TOMM34, TOMM70, TOMM40 MCL1 24/4885L3MBTL1 1175/4885LMNA 804/4885

“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.

Send feedback