SCHEMBL14701501

SCHEMBL14701501

O=C(OCC(O)COC(=O)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
PRKCA P17252 1/20 0.46
ALDH1A1 P00352 10/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
XBP1 P17861 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14701402 0.91 PKM (0.45) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL14701404 0.88 ALDH1A1 (0.44) PKMPRKCAALDH1A1NPSR1GAA
SCHEMBL14701500 0.87 PKM (0.46) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL2734363 0.84 ALDH1A1 (0.41) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL12977829 0.84 ALDH1A1 (0.41) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL14700425 0.83 PKM (0.53) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL13464726 0.82 PKM (0.51) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL9463651 0.82 PKM (0.68) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL17902874 0.82 ALDH1A1 (0.40) PKMPRKCAALDH1A1MAPTKMT2A
SCHEMBL14701492 0.81 PKM (0.42) PKMPRKCAALDH1A1MAPTKMT2A

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-8802352-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 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-20130040239-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN CRY1, H1-0, SPIN1 PKM 3615/4885PRKCA 2560/4885ALDH1A1 1898/4885

“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.