SCHEMBL13660693

SCHEMBL13660693

CNC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.50
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ PPARG P37231 3/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ FPR2 P25090 2/20 0.45
▸ LDHA P00338 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL2034306 1.00 ACACB (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL31037192 1.00 ACACB (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL28613611 0.88 ITGB3 (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL14640271 0.87 FPR2 (0.60) ACACBPPARGFPR2LDHAACE
SCHEMBL8751953 0.85 ACACB (0.48) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL29398348 0.85 ACACB (0.61) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL29401256 0.85 ACACB (0.61) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL8751950 0.85 ACACB (0.48) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL27569374 0.84 ITGB3 (0.56) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL27569376 0.84 ITGB3 (0.56) ACACBITGB3ITGA2BPPARGABCB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 — — US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 — — US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 — — 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP ACACB 3947/4885ITGB3 803/4885ITGA2B 1065/4885
US-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 ACACB 2230/4885ITGB3 4594/4885ITGA2B 4632/4885

“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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