SCHEMBL23519039

SCHEMBL23519039

CC1(OC(=O)c2ccc(OC(F)(F)C(=O)O)c(I)c2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.45
▸ HTR7 P34969 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ HNF4A P41235 1/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL23518973 0.81 NOTUM (0.38) NOTUMCYP19A1
SCHEMBL23518972 0.80 ADORA3 (0.40) NOTUMCYP19A1RAB9A
SCHEMBL23518975 0.74 SCN1A (0.31) NOTUM
SCHEMBL24361464 0.74 NOTUM (0.44) NOTUMLMNAMAPK1HTTRAB9A
SCHEMBL23382487 0.70 MAPK1 (0.40) CYP19A1ESR1RXRAHNF4ALMNA
SCHEMBL23383172 0.70 CYP19A1 (0.37) HTR7CYP19A1LMNAHTTRAB9A
SCHEMBL23382485 0.69 ELANE (0.36) HTR7CYP19A1LMNAHTTRAB9A
SCHEMBL23382995 0.69 CYP19A1 (0.39) CYP19A1ESR1RXRAHNF4ALMNA
SCHEMBL13561708 0.68 TSHR (0.48) CYP19A1LMNAMAPK1
SCHEMBL28146980 0.67 KDM4E (0.41) CYP19A1

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-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 (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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 NOTUM 576/4885HTR7 3989/4885MGLL 991/4885

“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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