SCHEMBL8737261

SCHEMBL8737261

C=CCC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.71
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP19A1 P11511 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28608516 0.89 CYP2C19 (0.57) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28606284 0.85 SMN1; SMN2 (0.53) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5377464 0.84 L3MBTL1 (0.52) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1458050 0.83 CYP2C19 (1.00) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1458057 0.83 CYP2C19 (1.00) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5371218 0.83 CYP2C19 (0.79) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL666893 0.83 CYP2C19 (1.00) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28608435 0.83 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1HSD17B10ATM
SCHEMBL23457202 0.82 LMNA (0.54) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1457969 0.81 CYP2C19 (0.96) CYP2C19LMNASMN1; SMN2ALDH1A1L3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642483-B1 CHLORINATION AND ELIMINATION PROCESS AND SOME PRODUCTS THEREOF DOW CHEMICAL CO (US) 1998-02-18 EP claimed
US-10106630-B2 Unsaturated deoxybenzoin compound, polymer prepared therefrom, and articles comprising the polymer THE UNIVERSITY OF MASSACHUSETTS (US) 2018-10-23 US disclosed
US-10065913-B2 Unsaturated deoxybenzoin compounds and polymers prepared therefrom THE UNIVERSITY OF MASSACHUSETTS (US) 2018-09-04 US disclosed
US-20170283355-A1 UNSATURATED DEOXYBENZOIN COMPOUND, POLYMER PREPARED THEREFROM, AND ARTICLES COMPRISING THE POLYMER THE UNIVERSITY OF MASSACHUSETTS 2017-10-05 US disclosed
US-20170101361-A1 UNSATURATED DEOXYBENZOIN COMPOUNDS AND POLYMERS PREPARED THEREFROM THE UNIVERSITY OF MASSACHUSETTS 2017-04-13 US disclosed
EP-2325693-B1 Composition for forming a patterned film of surface-modified carbon nanotubes SAMSUNG ELECTRONICS CO LTD (KR) 2015-04-08 EP disclosed
EP-2325693-A1 Composition for Forming a Patterned Film of Surface-Modified Carbon Nanotubes SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-25 EP disclosed
EP-0479593-B1 Process for acylation or alkylation of aromatic compounds in hydrogen fluoride HOECHST CELANESE CORP (US) 1996-06-19 EP disclosed
EP-0462776-B1 Preparation of optically active arylaliphatic carboxylic acids ALBEMARLE CORP (US) 1995-12-27 EP disclosed
US-5185469-A Contacting acylating agent and aromatic compound; extracting product into hydrogen fluoride-rich phase HOECHST CELANESE CORP. (US) 1993-02-09 US disclosed
EP-0479593-A2 Process for acylation or alkylation of aromatic compounds in hydrogen fluoride HOECHST CELANESE CORPORATION (US) 1992-04-08 EP disclosed
EP-0462776-A2 Preparation of optically active arylaliphatic carboxylic acids ALBEMARLE CORPORATION (US) 1991-12-27 EP disclosed
US-5068448-A Hydrogen fluoride and an acetylating agent with isobutylbenzene followed by extraction, circulation and withdrawal HOECHST CELANESE CORPORATION (US) 1991-11-26 US disclosed
EP-0284310-B1 PROCESS FOR PRODUCING IBUPROFEN HOECHST CELANESE CORPORATION (US) 1991-09-11 EP disclosed
US-5015764-A Preparation of optically active aliphatic carboxylic acids ETHYL CORPORATION (US) 1991-05-14 US disclosed
EP-0284310-A1 Process for producing ibuprofen HOECHST CELANESE CORPORATION (US) 1988-09-28 EP disclosed
US-3980698-A ALPHA-PHENYL-BETA-(LOWER ALKYLPHENYL)ETHYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-14 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 (4 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-10065913-B2 Unsaturated deoxybenzoin compounds and polymers prepared therefrom FLAD1, ALKBH1, ALOX15B CYP2C19 2658/4885LMNA 1173/4885SMN1; SMN2 1890/4885
US-10106630-B2 Unsaturated deoxybenzoin compound, polymer prepared therefrom, and articles comprising the polymer RARB, RARA, RARG CYP2C19 1978/4885LMNA 918/4885SMN1; SMN2 2803/4885
US-20170283355-A1 UNSATURATED DEOXYBENZOIN COMPOUND, POLYMER PREPARED THEREFROM, AND ARTICLES COMPRISING THE POLYMER RARB, RARA, RARG CYP2C19 1978/4885LMNA 918/4885SMN1; SMN2 2803/4885
US-20170101361-A1 UNSATURATED DEOXYBENZOIN COMPOUNDS AND POLYMERS PREPARED THEREFROM FLAD1, ALKBH1, ALOX15B CYP2C19 2658/4885LMNA 1173/4885SMN1; SMN2 1890/4885

“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.