SCHEMBL197602

SCHEMBL197602

COC(=O)COc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.58
ALDH1A1 P00352 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.49

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
SCHEMBL2116437 0.92 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL10421964 0.91 PTGS2 (0.51) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL9543814 0.90 PTGS2 (0.54) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL5908176 0.88 GAA (0.63) PTGS2ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL1507822 0.88 PTGS2 (0.49) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL12061812 0.86 GAA (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL17365269 0.86 PTGS2 (0.60) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL10364396 0.84 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4264046 0.84 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL7693991 0.84 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO claimed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP claimed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 WO claimed
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
WO-2019189419-A1 ANTI-CANCER AGENT-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2019-10-03 WO disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-8436201-B2 Functionalized diphenolics and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-05-07 US disclosed
US-8436201-B2 Functionalized diphenolics and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-05-07 US disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
EP-0129851-B1 PREPARATION OF MONOALKYLATED DIHYDROXYBENZENES AND NOVEL COMPOUNDS PREPARED THEREBY THE DOW CHEMICAL COMPANY (US) 1988-07-13 EP disclosed
US-4691042-A Preparation of monaoalkylated dihydroxybenzenes and novel compounds prepared thereby THE DOW CHEMICAL COMPANY (US) 1987-09-01 US disclosed
US-4568497-A Preparation of monoalkylated dihydroxybenzenes THE DOW CHEMICAL COMPANY (US) 1986-02-04 US disclosed
US-4511731-A 2-Ethoxyethyl 2-(4-hydroxyphenoxy)-propanoate THE DOW CHEMICAL COMPANY (US) 1985-04-16 US disclosed
EP-0129851-A2 Preparation of monoalkylated dihydroxybenzenes and novel compounds prepared thereby THE DOW CHEMICAL COMPANY (US) 1985-01-02 EP disclosed
US-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 PTGS2 2582/4885ALDH1A1 333/4885CYP2C9 33/4885

“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.