SCHEMBL23518972

SCHEMBL23518972

CC1(OC(=O)c2ccc(OC(F)(F)C(=O)O)cc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ FABP2 P12104 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL23519039 0.80 NOTUM (0.45) NOTUMCYP19A1RAB9A
SCHEMBL23383172 0.78 CYP19A1 (0.37) ADORA3SMN1; SMN2ALDH1A1CYP19A1CYP3A4
SCHEMBL23382487 0.78 MAPK1 (0.40) ADORA3GAASMN1; SMN2ALDH1A1SLC6A3
SCHEMBL23382485 0.77 ELANE (0.36) ADORA3TP53SMN1; SMN2ALDH1A1CYP19A1
SCHEMBL23382995 0.77 CYP19A1 (0.39) ADORA3GAASMN1; SMN2ALDH1A1SLC6A3
SCHEMBL13561708 0.76 TSHR (0.48) GAASMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL23518941 0.75 HSP90AA1 (0.43) NOTUMGAAALDH1A1CYP19A1EPHX2
SCHEMBL13564220 0.75 TSHR (0.47) GAASMN1; SMN2ALDH1A1TSHRSLC6A4
SCHEMBL23382451 0.74 PDCD1 (0.34) SMN1; SMN2ALDH1A1CYP19A1CYP3A4CYP2C9
SCHEMBL23518984 0.74 NOTUM (0.44) NOTUMGAATP53HPGDSMN1; SMN2

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 ADORA3 3207/4885NOTUM 576/4885GAA 770/4885

“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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