SCHEMBL7626513

SCHEMBL7626513

C=C(C)C(=O)OCCOc1cc(N=Nc2ccccc2Cl)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARA Q07869 5/20 0.32
▸ PPARG P37231 4/20 0.32
▸ PPARD Q03181 4/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL7626546 0.95 POLB (0.39) POLBTDP1HTTAPEX1NPC1
SCHEMBL7624134 0.89 SMN1; SMN2 (0.33) POLBTDP1HTTAPEX1MAPT
SCHEMBL3367989 0.88 PPARA (0.42) POLBTDP1HTTAPEX1NPC1
SCHEMBL7631080 0.87 PPARA (0.41) POLBTDP1HTTAPEX1ALDH1A1
SCHEMBL7629965 0.87 CYP1A2 (0.40) POLBTDP1HTTAPEX1NPC1
SCHEMBL7627025 0.84 PPARA (0.41) POLBTDP1HTTAPEX1NPC1
SCHEMBL7627000 0.84 HTT (0.33) POLBTDP1HTTAPEX1NPC1
SCHEMBL3372532 0.83 PPARA (0.44) POLBTDP1HTTAPEX1NPC1
SCHEMBL7629752 0.83 POLB (0.45) POLBTDP1HTTAPEX1NPC1
SCHEMBL7626454 0.83 CES2 (0.36) POLBTDP1HTTAPEX1NPC1

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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 — — US claimed
US-6242551-B1 SUCH AS CONTACT LENSES, INTRAOCULAR LENSES, AND ARTIFICIAL CORNEA; REDUCES SEPARATION OR ELUTION, CHEMICALLY STABLE, AND DOES NOT DENATURE UNDER HYDROLYSIS; MAINTAINS ORIGINAL COLOR TONE MENICON CO., LTD. (JP) 2001-06-05 — — 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS POLB 4743/4885TDP1 3733/4885HTT 2167/4885

“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.

Send feedback