SCHEMBL26019641

SCHEMBL26019641

CC(C)(C)C(=O)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.52
CES2 O00748 3/20 0.49
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
P2RX1 P51575 1/20 0.39
HSD17B3 P37058 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37

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
SCHEMBL25902689 0.82 CES2 (0.49) ESRRGCES2P2RX1
SCHEMBL26020411 0.82 CES2 (0.49) ESRRGCES2ALDH1A1HTTP2RX1
SCHEMBL323569 0.81 ESRRG (0.48) ESRRGCES2ALDH1A1HSD17B10NR1I2
SCHEMBL31252817 0.81 ESRRG (0.48) ESRRGCES2ALDH1A1HSD17B10NR1I2
SCHEMBL11209094 0.81 CES2 (0.50) ESRRGCES2ALDH1A1HSD17B10NR1I2
SCHEMBL187787 0.81 ALDH1A1 (0.57) ESRRGCES2ALDH1A1HSD17B10HSD17B3
SCHEMBL17159522 0.81 CES2 (0.47) ESRRGCES2ALDH1A1HSD17B10LMNA
SCHEMBL26023312 0.81 RAB9A (0.48) CES2HTTP2RX1KDM4E
SCHEMBL26020026 0.79 ESRRG (0.43) ESRRGCES2ALDH1A1HSD17B10NR1I2
SCHEMBL26020399 0.78 CES2 (0.45) ESRRGCES2ALDH1A1ARKDM4E

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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 ESRRG 4856/4885CES2 4349/4885ALDH1A1 2155/4885

“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.