SCHEMBL13591329

SCHEMBL13591329

CC(C)(C)CC(C)(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.61
▸ MDH1 P40925 2/20 0.53
▸ MDH2 P40926 2/20 0.53
▸ CYP3A4 P08684 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KIF11 P52732 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38

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
SCHEMBL26764530 0.81 SHBG (0.61) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL10515698 0.80 SHBG (0.67) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL15294399 0.78 NPC1 (0.48) SMN1; SMN2TAAR1ALDH1A1TSHRKIF11
SCHEMBL8768818 0.78 SHBG (0.64) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL12901182 0.76 SHBG (0.61) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL793347 0.76 TAAR1 (0.60) TAAR1ALDH1A1TSHRKIF11IDO1
SCHEMBL9081437 0.76 SHBG (0.61) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL2037077 0.76 SHBG (0.61) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL21138351 0.76 SHBG (0.68) SHBGMDH1MDH2CYP3A4SMN1; SMN2
SCHEMBL8798776 0.76 SHBG (0.61) SHBGMDH1MDH2CYP3A4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE SAPREME TECHNOLOGIES B.V. (NL) 2023-11-16 — — US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 — — EP 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-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE HAVCR2, TTR, PYGL SHBG 168/4885MDH1 2815/4885MDH2 3518/4885

“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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