SCHEMBL4144753

SCHEMBL4144753

C=C(C)COc1ccc(C(=O)CC(=O)C(C)(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ EPAS1 Q99814 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL480333 0.85 MAPT (0.57) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL4145207 0.82 KDM4E (0.70) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL9306660 0.82 HPGD (0.55) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL642934 0.81 MAPT (0.59) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL13773006 0.81 THRA (0.57) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL4141881 0.80 KDM4E (0.53) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL13773009 0.79 THRA (0.64) TSHR
SCHEMBL13773008 0.78 MEN1 (0.47) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL13773013 0.77 THRA (0.45) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL9482050 0.77 MAPT (0.51) KMT2AMEN1MAPTTSHRALDH1A1

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-20090169494-A1 Sunscreen cosmetic composition SHISEIDO COMPANY LTD (JP) 2009-07-02 — — US disclosed
EP-1944012-A1 SUNSCREEN COSMETIC COMPOSITION Shiseido Company, Limited (JP) 2008-07-16 — — EP disclosed
EP-0528380-B1 Alkyl-aryl 1,3-propanedion silicone derivative and an external preparation for skin with the derivative compounded therein SHISEIDO CO LTD (JP) 1997-02-26 — — EP 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-20090169494-A1 Sunscreen cosmetic composition SUN2, TYR, AHR KMT2A 981/4885MEN1 2821/4885KDM4E 1204/4885

“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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