SCHEMBL6744642

SCHEMBL6744642

COc1cccc(OC)c1OCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
POLB P06746 1/20 0.70
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.56
LMNA P02545 3/20 0.56
CD69 Q07108 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
GLA P06280 1/20 0.55
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL6743332 0.90 POLB (0.62) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL31552456 0.89 SMN1; SMN2 (0.71) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL6745272 0.88 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL7824239 0.88 KDM4E (0.60) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL18702949 0.87 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL1145948 0.86 KMT2A (0.62) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL6449648 0.85 POLB (0.57) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL9774310 0.85 POLB (0.57) SMN1; SMN2POLBALDH1A1KMT2ALMNA
SCHEMBL2554736 0.85 PTGDR2 (0.62) SMN1; SMN2POLBKMT2ALMNACD69
SCHEMBL13665131 0.84 HPGD (0.63) SMN1; SMN2POLBALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349244-B Benzimidazole and quinazoline dimethoxy-benzene oxygen acetyl-AA-OBzl, synthesis, activity and application 首都医科大学 2018-07-27 CN disclosed
CN-106349244-A Benzo imidazo quinazoline dimethyl oxygen benzene oxygen acetyl-AA-OBzl, as well as synthesis, activity and application thereof 首都医科大学 2017-01-25 CN disclosed
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP disclosed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US disclosed
EP-0750614-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1997-01-02 EP disclosed
WO-1995025726-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING α-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-28 WO disclosed
EP-0244723-A2 Benzothiazinone derivatives, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-11 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC SMN1; SMN2 3669/4885POLB 632/4885ALDH1A1 999/4885

“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.