SCHEMBL23559472

SCHEMBL23559472

CC(C)(OC(=O)c1ccc(I)cc1Cl)C(F)(F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ RAB9A P51151 5/20 0.32
▸ MAPT P10636 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ PKM P14618 1/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ ALOX15 P16050 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
SCHEMBL23559561 0.86 GABRG2 (0.32) —
SCHEMBL23559469 0.84 CES2 (0.36) CYP2C19ALDH1A1HPGD
SCHEMBL23559314 0.82 PTPN1 (0.34) MAP2K1MAPT
SCHEMBL23559319 0.82 CA12 (0.36) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL23559471 0.82 NOTUM (0.35) PPARAPPARGPPARD
SCHEMBL17185583 0.81 GABRG2 (0.43) MAP2K1NR1H4RAB9AMAPTKMT2A
SCHEMBL23559559 0.77 TPMT (0.41) CYP1A2CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL23559318 0.76 PDK1 (0.36) PDK2RAB9AMAPTKMT2ANPC1
SCHEMBL23559564 0.75 SOS1 (0.33) —
SCHEMBL23559563 0.75 TP53BP1 (0.39) RAB9AMAPTNPC1CYP1A2CYP2D6

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-20210188770-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-24 — — 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-20210188770-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 MAP2K1 666/4885NR1H4 932/4885PDK2 3587/4885

“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.

Send feedback