SCHEMBL10070185

SCHEMBL10070185

COc1ccc(C(=O)CCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.72
▸ LMNA P02545 2/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ APEX1 P27695 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ RECQL P46063 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ NPC1 O15118 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ EPHX2 P34913 2/20 0.63
▸ NR1H4 Q96RI1 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ MAPT P10636 4/20 0.60
▸ F2RL1 P55085 1/20 0.55
▸ PDE4B Q07343 1/20 0.53
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52

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
SCHEMBL10070195 1.00 ALDH1A1 (0.72) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL22241270 0.91 ALDH1A1 (0.81) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL10070187 0.91 NR1H4 (0.59) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL26544652 0.90 ALDH1A1 (0.72) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL7868896 0.89 NPC1 (0.83) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL28658865 0.87 NPC1 (0.66) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL3093928 0.86 LMNA (0.74) ALDH1A1LMNAALOX15APEX1MAPK1
Avobenzone SCHEMBL1768910 0.84 ALDH1A1 (1.00) ALDH1A1LMNAALOX15APEX1MAPK1
Avobenzone SCHEMBL15650 0.84 ALDH1A1 (1.00) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL5608126 0.83 ESRRG (0.63) ALDH1A1LMNAALOX15APEX1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116623198-A Method for preparing aromatic carbonyl compound by electrochemical oxidation reaction and aromatic carbonyl compound 南开大学 2023-08-22 — — CN disclosed
US-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER THE JOHNS HOPKINS UNIVERSITY 2023-07-06 — — US disclosed
US-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER THE JOHNS HOPKINS UNIVERSITY 2023-07-06 — — US disclosed
EP-2600854-B1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2016-01-27 — — EP disclosed
WO-2012016619-A1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2012-02-09 — — 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-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER CUTA, PUF60, SUN2 ALDH1A1 1197/4885LMNA 2192/4885ALOX15 3070/4885

“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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