SCHEMBL23519131

SCHEMBL23519131

O=C(O)C(F)(F)Oc1ccc(I)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ NOTUM Q6P988 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ CETP P11597 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL23518950 0.78 NOTUM (0.41) NOTUMEPHX2HSD17B10
SCHEMBL23518954 0.76 NOTUM (0.31) NOTUM
SCHEMBL9147982 0.76 SLC6A4 (0.48) SLC6A4SLC6A2PTGDR2MAPTCETP
SCHEMBL23518947 0.74 NOTUM (0.53) NOTUMMAPTRAB9AEPAS1MAPK1
SCHEMBL23518968 0.73 GABRA1 (0.42) NOTUMMAPTNPC1RAB9A
SCHEMBL23518982 0.71 ELANE (0.30) —
SCHEMBL23519000 0.70 TRPV1 (0.49) NOTUMMAPTEPHX2PPARGPPARA
SCHEMBL15413855 0.70 SLC6A4 (0.54) SLC6A4SLC6A2HSD17B10
SCHEMBL23519058 0.68 KAT6A (0.38) NOTUMPPARGPPARA
SCHEMBL694699 0.68 IDO1 (0.38) SLC6A4SLC6A2NOTUMEPHX2

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-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-04-28 — — US disclosed
US-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-17 — — 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 (2 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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 SLC6A4 2253/4885SLC6A2 1333/4885NOTUM 576/4885
US-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS CACNA1F, SLC6A5, IDUA SLC6A4 2114/4885SLC6A2 1278/4885NOTUM 399/4885

“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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