SCHEMBL13008060

SCHEMBL13008060

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.45
▸ PDE3B Q13370 5/20 0.43
▸ PDE3A Q14432 5/20 0.43
▸ P2RY12 Q9H244 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 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
SCHEMBL2493222 0.87 MAPT (0.47) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL13008062 0.87 LMNA (0.39) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL10202996 0.83 LMNA (0.59) MAPTLMNAALDH1A1LTA4HKDM4E
SCHEMBL13008056 0.83 MCL1 (0.47) TSHRLMNAGAAPOLBPPARG
SCHEMBL15307916 0.83 CNR2 (0.40) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL13224018 0.82 PDE3B (0.44) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL13490815 0.80 BRD4 (0.47) TSHRPDE3BPDE3AP2RY12ALDH1A1
SCHEMBL23843414 0.79 MAPT (0.49) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL13224055 0.79 MAPT (0.41) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL13463051 0.79 KDM4E (0.60) TSHRALDH1A1KDM4EGAAPOLB

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 MAPT 3353/4885TSHR 2636/4885PDE3B 4130/4885

“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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