SCHEMBL21297713

SCHEMBL21297713

COCc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GLRA3 O75311 1/20 0.39

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
SCHEMBL21297714 0.83 PTGS2 (0.37) HCAR2MEN1KMT2APTGS2LMNA
SCHEMBL11266252 0.79 TPMT (0.45) RXRARXRBRXRGRARARARB
SCHEMBL28994962 0.79 LMNA (0.43) RXRARXRBRXRGRARARARB
SCHEMBL20913297 0.79 ALDH1A1 (0.43) HCAR2CA1CA2MEN1POLB
SCHEMBL19753676 0.76 GLRA3 (0.40) RXRARXRBRXRGRARARARB
SCHEMBL8903140 0.76 TNFRSF1A (0.40) RXRARXRBRXRGRARARARB
SCHEMBL3637333 0.76 TNFRSF1A (0.56) RARARARBRARGCA12CA1
SCHEMBL11760556 0.76 TDP1 (0.45) HCAR2CA12CA1CA2CA7
SCHEMBL10318645 0.74 CA12 (0.60) RXRACA12CA1CA2CA7
SCHEMBL9623299 0.73 PLAU (0.45) RXRARXRBRXRGRARARARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10394122-B2 Resist composition, method for forming resist pattern, compound, and acid generator TOYKO OHKA KOGYO CO., LTD. (JP) 2019-08-27 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-10394122-B2 Resist composition, method for forming resist pattern, compound, and acid generator RB1, FXR1, CCNA1 HCAR2 2476/4885RXRA 827/4885RXRB 502/4885

“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.