SCHEMBL4098442

SCHEMBL4098442

CC(CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.69
HIF1A Q16665 2/20 0.69
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
CYP3A4 P08684 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP1A2 P05177 3/20 0.44

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
SCHEMBL9009091 0.89 CYP2C19 (0.56) CYP2C19HIF1AKMT2AALDH1A1ESR1
SCHEMBL11715175 0.88 CYP2C19 (0.59) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL9008989 0.84 CYP2C19 (0.51) CYP2C19HIF1AKIF11
SCHEMBL1537402 0.83 CYP2C19 (0.53) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL4235812 0.83 ESR1 (0.67) CYP2C19HIF1AALDH1A1ESR1ESR2
SCHEMBL408175 0.83 CYP2C19 (0.53) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL9474959 0.83 CYP2C19 (0.53) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL362442 0.83 KMT2A (0.55) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL25332888 0.82 CYP2C19 (0.69) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL1202058 0.82 CYP2C19 (0.69) CYP2C19HIF1AMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109097068-B Liquid crystal mixture, wide-band light reflection device and method of using the same 京东方科技集团股份有限公司 2020-07-07 CN disclosed
CN-107619378-B Chipal compounds and liquid crystal material and preparation method thereof, display device 京东方科技集团股份有限公司 2019-07-30 CN disclosed
US-10351506-B2 Purified plasticizers, production and use EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-16 US disclosed
US-20190031593-A1 Purified Plasticizers, Production and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-01-31 US disclosed
CN-109097068-A Liquid crystal compound, broadband light reflection device and its application method 京东方科技集团股份有限公司 2018-12-28 CN disclosed
CN-107619378-A Chipal compounds and liquid crystal material and preparation method thereof, display device 京东方科技集团股份有限公司 2018-01-23 CN disclosed
CN-103086877-B A kind of method for splitting of 2 hydracrylic acid class racemoid 浙江华海药业股份有限公司 2017-08-25 CN disclosed
US-8367743-B2 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces BASF SE (DE) 2013-02-05 US disclosed
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces IGM GROUP B.V. (NL) 2009-04-23 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
US-5990261-A Organic optical component MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
CN-1200720-A Carboxylic acid derivatives, their preparation and use BASF AG (DE) 1998-12-02 CN disclosed
EP-0862550-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
EP-0826717-A1 An organic optical component MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-03-04 EP disclosed
EP-0822545-A2 Optical component and spirobiindan polymer therefor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-02-04 EP disclosed
WO-1997009294-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
US-5266718-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
EP-0071920-B1 PROCESS FOR THE CARBONYLATION OF FORMALDEHYDE ACETALS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP disclosed
EP-0071920-A2 Process for the carbonylation of formaldehyde acetals HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 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 (3 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-10351506-B2 Purified plasticizers, production and use ALKBH3, FTO, ALK CYP2C19 523/4885HIF1A 4396/4885MAPT 1561/4885
US-20190031593-A1 Purified Plasticizers, Production and Use ALKBH3, FTO, ALK CYP2C19 523/4885HIF1A 4396/4885MAPT 1561/4885
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces CDH1, PCNA, VCAM1 CYP2C19 2531/4885HIF1A 1572/4885MAPT 361/4885

“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.