SCHEMBL907576

SCHEMBL907576

COc1cc(C(=O)C(=O)O)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.56
TUBB1 Q9H4B7 7/20 0.53
TUBB4A P04350 4/20 0.53
TUBB P07437 4/20 0.53
TUBA3C P0DPH7 4/20 0.53
TUBA1B P68363 4/20 0.53
TUBA4A P68366 4/20 0.53
TUBB4B P68371 4/20 0.53
TUBB3 Q13509 4/20 0.53
TUBB2A Q13885 4/20 0.53
TUBB8 Q3ZCM7 4/20 0.53
TUBA3E Q6PEY2 4/20 0.53
TUBA1A Q71U36 4/20 0.53
TUBA1C Q9BQE3 4/20 0.53
TUBB6 Q9BUF5 4/20 0.53
TUBB2B Q9BVA1 4/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL4625442 0.89 TUBB1 (0.58) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL6859776 0.85 TPMT (0.50) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL23734449 0.83 TUBB1 (0.55) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL12598604 0.83 RXFP1 (0.55) TPMTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8726199 0.83 HPGD (0.48) TPMTTUBB1TUBB4ATUBBTUBA3C
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.83 TPMT (0.78) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL27987526 0.82 ALDH1A1 (0.62) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL6160353 0.82 TUBB1 (0.54) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL10789120 0.82 TSHR (0.56) TPMTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL31679677 0.82 TUBB1 (0.54) TPMTTUBB1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585266-A2 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2025-07-16 EP disclosed
EP-3882244-B1 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2025-03-05 EP disclosed
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 US disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 EP disclosed
CN-118344566-A Anhydride epoxy copolyester and preparation method thereof 中国科学院长春应用化学研究所 2024-07-16 CN disclosed
WO-2023055801-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2023-04-06 WO disclosed
EP-3882244-A1 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2021-09-22 EP disclosed
EP-2933254-B1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2021-01-20 EP disclosed
US-9951058-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2018-04-24 US disclosed
CN-105121433-B Antiviral compound, its pharmaceutically acceptable salt or optical isomer, the method for preparing them and the pharmaceutical composition for being used to prevent or treat viral disease for containing the same as active ingredient 韩国化学研究院 2018-01-23 CN disclosed
EP-0584223-B1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMA (US) 1999-08-11 EP disclosed
US-5935954-A TREATING THE PATIENT SUFFERING FROM PARKINSON'S DISEASE, ALZHIMER'S DISEASE, STROKE AND ISCHEMIA ASSOCIATED WITH STROKE, NEURAL PAROPATHY, SCIATIC CRUSH, SPINAL CORD INJURY OR FACIAL NERVE CRASH VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-08-10 US disclosed
EP-0891331-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1999-01-20 EP disclosed
US-5723459-A IMMUNOSUPPRESSANTS FOR MULTIDRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-03-03 US disclosed
US-5717092-A Compounds with improved multi-drug resistance activity VERTEX PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
WO-1997036869-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-10-09 WO disclosed
US-5620971-A Biologically active acylated amino acid derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-04-15 US disclosed
WO-1994007858-A1 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-04-14 WO disclosed
EP-0584223-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-02 EP disclosed
WO-1992019593-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-11-12 WO disclosed