SCHEMBL13411129

SCHEMBL13411129

C[C@H](CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.60
▸ SLC10A1 Q14973 1/20 0.60
▸ GPBAR1 Q8TDU6 9/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ VDR P11473 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CASP7 P55210 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ NR1H4 Q96RI1 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTPN2 P17706 1/20 0.47

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
SCHEMBL18785361 0.92 GPBAR1 (0.56) SLC10A2SLC10A1GPBAR1TDP1LMNA
SCHEMBL23382872 0.92 GPBAR1 (0.56) SLC10A2SLC10A1GPBAR1TDP1LMNA
SCHEMBL13411152 0.89 GPBAR1 (0.51) SLC10A2SLC10A1GPBAR1HIF1AVDR
SCHEMBL12132063 0.89 GPBAR1 (0.66) SLC10A2SLC10A1GPBAR1TDP1LMNA
SCHEMBL13411121 0.89 GPBAR1 (0.66) SLC10A2SLC10A1GPBAR1TDP1LMNA
SCHEMBL13411130 0.87 GPBAR1 (0.69) GPBAR1HIF1AVDRCYP2C9CASP7
SCHEMBL10245749 0.87 SLC10A2 (0.61) SLC10A2SLC10A1GPBAR1HIF1AVDR
SCHEMBL13411143 0.86 GPBAR1 (0.69) SLC10A2SLC10A1GPBAR1TDP1NR1H4
SCHEMBL13411124 0.86 GPBAR1 (0.69) SLC10A2SLC10A1GPBAR1TDP1NR1H4
SCHEMBL13411117 0.85 GPBAR1 (0.64) GPBAR1HIF1AVDRCYP2C9CASP7

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-7670751-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-03-02 — — US disclosed
US-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS PROXIMAL SYSTEMS CORPORATION 2009-03-05 — — 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-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS RER1, CRY1, CYP21A2 SLC10A2 1138/4885SLC10A1 363/4885GPBAR1 198/4885

“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.

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