SCHEMBL23519216

SCHEMBL23519216

COc1ccc(OC(=O)c2ccc(OC(F)(F)C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GFER P55789 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ ACR P10323 1/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44

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
SCHEMBL23518959 0.88 PARP10 (0.54) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL12473427 0.87 LMNA (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23518949 0.86 PARP10 (0.45) LMNAKMT2AMAPTPRSS1ACR
SCHEMBL12608584 0.82 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12633724 0.82 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9666088 0.82 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7591660 0.82 LMNA (0.75) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL19604068 0.81 LMNA (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8072562 0.80 LMNA (0.63) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8058452 0.80 LMNA (0.63) LMNACYP1A2CYP2C9CYP2C19SMN1; 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 LMNA 1042/4885CYP1A2 4076/4885CYP2C9 2878/4885

“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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