SCHEMBL12792798

SCHEMBL12792798

CCCCC(CC)COC(=O)c1ccccc1C(=O)c1ccc(N(C(C)C)C(C)C)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ CA2 P00918 1/20 0.64
▸ LMNA P02545 4/20 0.62
▸ PRSS1 P07477 1/20 0.58
▸ PRSS2 P07478 1/20 0.58
▸ PRSS3 P35030 1/20 0.58
▸ TSHR P16473 7/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL6748976 0.89 ALDH1A1 (0.65) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL74067 0.79 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL4602015 0.79 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL5842020 0.79 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL14892433 0.79 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1

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-20110059033-A1 ULTRAVIOLET ABSORBING COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
US-20110059033-A1 ULTRAVIOLET ABSORBING COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — 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-20110059033-A1 ULTRAVIOLET ABSORBING COMPOSITION C1S, F12, TYR ALDH1A1 500/4885CYP3A4 1887/4885CA2 893/4885

“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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