SCHEMBL17127022

SCHEMBL17127022

CCOCCSC(C(=O)c1ccc(Oc2ccc3ccccc3c2)cc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.38
▸ GABBR2 O75899 2/20 0.36
▸ GABBR1 Q9UBS5 2/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHEK2 O96017 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
SCHEMBL17126862 0.92 AKR1C3 (0.39) PTGS2GABBR2GABBR1ALDH1A1SMN1; SMN2
SCHEMBL17126976 0.90 PPARA (0.40) RAB9APPARANPC1PPARGALDH1A1
SCHEMBL17126863 0.90 ACACB (0.37) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL17126864 0.89 SCN9A (0.33) NPC1SMN1; SMN2SCN9ALMNAMEN1
SCHEMBL17126856 0.87 SMN1; SMN2 (0.33) PPARAPPARGSMN1; SMN2SCN9ALMNA
SCHEMBL17126978 0.87 CETP (0.40) PTGS2GABBR2GABBR1RAB9APPARA
SCHEMBL17127364 0.87 PPARG (0.40) PTGS2GABBR2GABBR1RAB9APPARA
SCHEMBL17127028 0.86 CETP (0.42) PTGS2RAB9APPARANPC1PPARG
SCHEMBL17127019 0.85 LMNA (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17126973 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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-20150277225-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM FORMED USING SAID COMPOSITION, METHOD FOR FORMING PATTERN USING SAID COMPOSITION, PROCESS FOR PRODUCING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-10-01 — — 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-20150277225-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM FORMED USING SAID COMPOSITION, METHOD FOR FORMING PATTERN USING SAID COMPOSITION, PROCESS FOR PRODUCING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE TERB1, ACTR5, ADPRS PTGS2 3209/4885GABBR2 3044/4885GABBR1 3089/4885

“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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