SCHEMBL19742334

SCHEMBL19742334

CC(C)(C)C(=O)OCCCF

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRKCA P17252 2/20 0.38
ALDH1A1 P00352 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
BTN3A1 O00481 4/20 0.33
ATM Q13315 1/20 0.31
ELANE P08246 1/20 0.31
BRD4 O60885 1/20 0.30
NAAA Q02083 1/20 0.30
MEN1 O00255 1/20 0.30
GBA1 P04062 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13367153 0.86 POLB (0.43) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL27819169 0.85 POLB (0.46) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL7989588 0.85 POLB (0.46) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL29049106 0.83 POLB (0.44) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL12972547 0.82 NPSR1 (0.41) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL10062498 0.81 CYP4F2 (0.38) ALDH1A1CYP4F2CYP4A11ATMNAAA
SCHEMBL13089654 0.80 NPSR1 (0.40) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL4258156 0.80 POLB (0.48) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL126843 0.79 ALDH1A1 (0.56) POLBGAANPSR1ALDH1A1ATM
SCHEMBL2531851 0.79 POLB (0.42) POLBGAANPSR1PRKCAALDH1A1

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-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 US claimed
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 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-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 POLB 3913/4885GAA 2047/4885NPSR1 2879/4885

“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.