SCHEMBL211524

SCHEMBL211524

O=C(O)C(F)=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.54
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL3716652 1.00 AKR1C3 (0.56) AKR1C3AKR1C1CYP2C9CYP3A4TP53
SCHEMBL2914673 1.00 AKR1C3 (0.56) AKR1C3AKR1C1CYP2C9CYP3A4TP53
Hydrochloric Acid SCHEMBL6818657 0.98 AKR1C3 (0.54) AKR1C3AKR1C1CYP2C9CYP3A4TP53
SCHEMBL8516515 0.92 AKR1C3 (0.48) AKR1C3AKR1C1CYP2C9CYP3A4TP53
SCHEMBL7074200 0.87 TP53 (0.66) AKR1C3AKR1C1TP53HTTTSHR
SCHEMBL7074203 0.87 TP53 (0.66) AKR1C3AKR1C1TP53HTTTSHR
SCHEMBL11179955 0.86 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4TP53
SCHEMBL11179967 0.86 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4TP53
SCHEMBL19712515 0.85 ALDH1A1 (0.46) AKR1C3AKR1C1CYP2C9CYP3A4ALDH1A1
SCHEMBL19712514 0.85 ALDH1A1 (0.46) AKR1C3AKR1C1CYP2C9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594675-B Beta-carbalin-cinnamic acid skeleton derivative and preparation method and application thereof 西安医学院 2024-01-30 CN claimed
CN-117199530-A Sodium ion battery electrolyte additive adaptive to hard carbon material and application thereof 泰安市法拉第能源科技有限公司 2023-12-08 CN claimed
CN-116589458-A Co-crystals of berberine-substituted cinnamic acid and application thereof in preparation of medicines for treating colonitis 安徽中医药大学 2023-08-15 CN claimed
CN-115594675-A Beta-carbalin-cinnamic acid skeleton derivative and preparation method and application thereof 西安医学院(CN) 2023-01-13 CN claimed
US-8089585-B2 Optical film, preparation method of the same, and liquid crystal display comprising the same LG CHEM, LTD. (KR) 2012-01-03 US claimed
US-20100182547-A1 Optical film, preparation method of the same, and liquid crystal display comprising the same LG CHEM, LTD. (KR) 2010-07-22 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 EP claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20040147493-A1 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2004-07-29 US claimed
US-20030166621-A1 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2003-09-04 US claimed
EP-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP claimed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US claimed
US-5824377-A POLYSILOXANE HAVING PENDANT CINNAMOYL GROUP LG ELECTRONICS INC. (KR) 1998-10-20 US claimed
US-5538823-A Liquid crystal device utilizing thermostable polymeric material GOLDSTAR CO., LTD. (KR) 1996-07-23 US claimed
EP-0228172-B1 PREPARATION OF 6-SUBSTITUTED 4-CHROMANONES Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-03-07 EP claimed
EP-0095932-B1 THE USE OF A PARTICULATE POLYMER AS A CARRIER FOR BIOLOGICAL SUBSTANCES AND THE LIKE AND SUCH SUBSTANCES SUPPORTED ON THE CARRIER JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1986-08-06 EP claimed

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-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 AKR1C3 3104/4885AKR1C1 2446/4885CYP2C9 330/4885

“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.