SCHEMBL17299694

SCHEMBL17299694

Cc1ccc(C)c(OCCCC(C)(C)C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.62
▸ PPARA Q07869 3/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C8 P10632 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ HTR2B P41595 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ SLCO1B3 Q9NPD5 1/20 0.62
▸ CISD1 Q9NZ45 1/20 0.62
▸ SLCO1B1 Q9Y6L6 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.47
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL12203843 0.85 TSHR (0.68) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL4536166 0.84 TSHR (0.59) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL18885323 0.81 TSHR (0.62) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5266458 0.80 TSHR (0.70) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL15085817 0.80 TSHR (0.60) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL4539546 0.79 TSHR (0.65) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL12657603 0.79 TSHR (0.65) TSHRPPARACYP2C9CYP2C8TDP1
Gemfibrozil SCHEMBL6033508 0.79 PPARA (0.90) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5929495 0.78 TSHR (0.67) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5673008 0.78 TSHR (0.63) TSHRPPARACYP2C9CYP2C8TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158781-A1 METHODS FOR PRACTICAL SYNTHESIS OF DEUTERATED AMINO ACIDS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-08-12 — — WO disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2015-12-03 — — 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-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 TSHR 2741/4885PPARA 196/4885CYP2C9 781/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 TSHR 2741/4885PPARA 196/4885CYP2C9 781/4885

“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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