SCHEMBL7938524

SCHEMBL7938524

CC(=O)c1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.83
LMNA P02545 4/20 0.83
L3MBTL1 Q9Y468 1/20 0.83
ALDH1A1 P00352 2/20 0.70
HSD17B1 P14061 3/20 0.65
NR1H2 P55055 1/20 0.61
MAPT P10636 5/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5A P35218 2/20 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
SCHEMBL835108 0.91 HPGD (1.00) HPGDLMNAL3MBTL1ALDH1A1HSD17B1
SCHEMBL1755726 0.91 HPGD (1.00) HPGDLMNAL3MBTL1ALDH1A1HSD17B1
4-Hydroxyacetophenone SCHEMBL8934912 0.86 HSD17B1 (0.85) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL40866 0.86 HSD17B1 (0.85) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL9480590 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL27639603 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL28050008 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL8744798 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL31385561 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT
4-Hydroxyacetophenone SCHEMBL28895846 0.84 HSD17B1 (0.81) HPGDLMNAL3MBTL1HSD17B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0324472-B1 KETENEDITHIOACETAL DERIVATIVES AND PROCESSES FOR PRODUCING THE SAME AS WELL AS A COMPOSITION CONTAINING THE SAME NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-5098928-A Antilipemic agents and treatment of arteriosclerosis NIHON NOHYAKU CO., LTD. (JP) 1992-03-24 US disclosed
EP-0324472-A2 Ketenedithioacetal derivatives and processes for producing the same as well as a composition containing the same NIHON NOHYAKU CO., LTD. (JP) 1989-07-19 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 HPGD 1394/4885LMNA 4215/4885L3MBTL1 1004/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HPGD 61/4885LMNA 1964/4885L3MBTL1 4333/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 HPGD 1394/4885LMNA 4215/4885L3MBTL1 1004/4885

“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.