SCHEMBL10098356

SCHEMBL10098356

CC(C)(C)C(C)(C(=O)OCC1CO1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TP53 P04637 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL13165475 0.85 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL24257480 0.84 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL2029942 0.84 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL2390572 0.82 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19652266 0.82 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL22689623 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL29236881 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL12018886 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL1777179 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL9953005 0.80 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1

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-20190144637-A1 RESIN COMPOSTION AND RESIN MOLDED ARTICLE FUJI XEROX CO., LTD. (JP) 2019-05-16 US disclosed
US-20120231396-A1 RESIN PATTERN, METHOD FOR PRODUCING THE PATTERN, METHOD FOR PRODUCING MEMS STRUCTURE, METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE, AND METHOD FOR PRODUCING PLATED PATTERN FUJIFILM CORPORATION (JP) 2012-09-13 US disclosed
US-20120045616-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-02-23 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-20120045616-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE PELP1, EED, ARCN1 ALDH1A1 1066/4885TP53 4124/4885CYP3A4 2872/4885

“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.