SCHEMBL717900

SCHEMBL717900

CCOC(=O)CC(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ABCB1 P08183 1/20 0.55
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALOX5 P09917 1/20 0.52
PPID Q08752 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MMP12 P39900 1/20 0.50
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 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
SCHEMBL6175000 0.97 TDP1 (0.53) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
SCHEMBL7159712 0.91 CYP4F2 (0.64) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
SCHEMBL3105310 0.90 ALOX5 (0.60) TDP1ABCB1CYP4F2CYP4A11ALOX5
SCHEMBL3744601 0.88 FFAR1 (0.62) TDP1L3MBTL1ALOX5ALDH1A1
SCHEMBL3102960 0.88 ALOX5 (0.54) ABCB1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL12290429 0.87 CYP4F2 (0.58) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
SCHEMBL28295600 0.87 TDP1 (0.61) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.86 TDP1 (0.75) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
SCHEMBL10413143 0.85 CES1 (0.44) TDP1ABCB1CYP4F2CYP4A11L3MBTL1
SCHEMBL3240817 0.85 L3MBTL1 (0.51) TDP1ABCB1L3MBTL1ALOX5PPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103553914-A Phenylethyl acetate synthesis method JI XUELIANG 2014-02-05 CN claimed
CN-100522127-C Perfume composition KAO CORP (JP) 2009-08-05 CN claimed
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US claimed
JP-8291131-A None JP disclosed
US-20250261684-A1 SMOKELESS TOBACCO PRODUCT FOR ORAL USE AND SOFT CAPSULE USED THEREIN SUNSHO PHARMACEUTICAL CO., LTD. (JP) 2025-08-21 US disclosed
US-20250120427-A1 CARYOPHYLLENE-CONTAINING COMPOSITION SUNSHO PHARMACEUTICAL CO., LTD. (JP) 2025-04-17 US disclosed
WO-2025070466-A1 SEAMLESS CAPSULE FOR ORAL CAVITY 森下仁丹株式会社 2025-04-03 WO disclosed
EP-4420534-A1 SMOKELESS TOBACCO PRODUCT FOR ORAL USE AND SOFT CAPSULE USED THEREIN Sunsho Pharmaceutical Co., Ltd. (JP) 2024-08-28 EP disclosed
EP-4403170-A1 CARYOPHYLLENE-CONTAINING COMPOSITION Sunsho Pharmaceutical Co., Ltd. (JP) 2024-07-24 EP disclosed
US-20240180219-A1 SEAMLESS CAPSULE STABLY DISINTEGRABLE EVEN IN HIGH-TEMPERATURE AND HIGH-HUMIDITY ENVIRONMENT, AND METHOD FOR PRODUCING THE SAME MORISHITA JINTAN CO., LTD. (JP) 2024-06-06 US disclosed
EP-4316472-A1 DISINTEGRABLE SEAMLESS CAPSULE THAT IS STABLE EVEN IN HIGH-TEMPERATURE AND HIGH-HUMIDITY ENVIRONMENT, AND METHOD FOR PRODUCING SAID SEAMLESS CAPSULE Morishita Jintan Co., Ltd. (JP) 2024-02-07 EP disclosed
US-4219649-A ANALGESICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-08-26 US disclosed
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US disclosed
US-4109006-A 1,4-DITHIINOXIDES WARREN-TEED LABORATORIES, INC. (US) 1978-08-22 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4042596-A 2-Alkyl-5-phenethyl-4-oxazolecarboxylic acids and derivatives SANDOZ, INC. (US) 1977-08-16 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-3994915-A Preparation of substituted oxazoles SANDOZ, INC. (US) 1976-11-30 US disclosed