SCHEMBL4536166

SCHEMBL4536166

COC(OC)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ PPARA Q07869 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C8 P10632 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TTR P02766 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL17299694 0.84 TSHR (0.62) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL12203843 0.82 TSHR (0.68) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5020042 0.79 TSHR (0.59) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL18885323 0.78 TSHR (0.62) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5266458 0.78 TSHR (0.70) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL15085817 0.77 TSHR (0.60) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL12657603 0.77 TSHR (0.65) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL4539546 0.77 TSHR (0.65) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL15872013 0.76 TSHR (0.56) TSHRPPARACYP2C9CYP2C8TDP1
SCHEMBL5929495 0.76 TSHR (0.67) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 — — EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — WO 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 TSHR 3902/4885PPARA 1494/4885CYP2C9 21/4885

“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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