SCHEMBL79556

SCHEMBL79556

OCC=Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
NFE2L2 Q16236 5/20 0.50
HSD11B1 P28845 1/20 0.50
PTGS1 P23219 2/20 0.48
TNFRSF1A P19438 1/20 0.45
TRPA1 O75762 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
APP P05067 1/20 0.43
FBP1 P09467 1/20 0.42

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
SCHEMBL79555 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLNFE2L2HSD11B1
SCHEMBL9276381 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLNFE2L2PTGS1
SCHEMBL9276383 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLNFE2L2PTGS1
SCHEMBL17862090 0.85 NFE2L2 (0.59) NFE2L2HSD11B1PTGS1TNFRSF1ATRPA1
SCHEMBL24611334 0.85 HSD11B1 (0.45) ALDH1A1CYP3A4RECQLNFE2L2HSD11B1
SCHEMBL7097682 0.82 HSD11B1 (0.47) NFE2L2HSD11B1PTGS1TNFRSF1ATRPA1
SCHEMBL7097687 0.82 HSD11B1 (0.47) NFE2L2HSD11B1PTGS1TNFRSF1ATRPA1
SCHEMBL28837412 0.79 PTGS1 (0.57) NFE2L2HSD11B1PTGS1ALOX5PTGS2
SCHEMBL1830641 0.79 HSD11B1 (0.44) NFE2L2HSD11B1PTGS1TNFRSF1ATRPA1
SCHEMBL3872787 0.78 NPC1 (0.47) ALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362338-A Method for preparing 3, 3-diaryl allyl substituted organic phosphonate compound 湖南理工学院 2024-01-09 CN claimed
CN-113277963-B Amine compound and preparation method and application thereof 南京工业大学 2022-11-04 CN claimed
CN-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN claimed
CN-113277963-A Amine compound and preparation method and application thereof 南京工业大学 2021-08-20 CN claimed
CN-110627693-B Allyl sulfone compound and preparation method and application thereof 南京工业大学 2021-06-04 CN claimed
CN-110627693-A Allyl sulfone compound and preparation method and application thereof 南京工业大学 2019-12-31 CN claimed
US-10112896-B2 Method for synthesizing dissymmetric sulfoether SOOCHOW UNIVERSITY (CN) 2018-10-30 US claimed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US claimed
CN-102337307-A Preparation method of optically active phenyl glycidol and derivatives thereof CHENGDU INST BIOLOGY CAS 2012-02-01 CN claimed
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE DAIKIN INDUSTRIES, LTD. (JP) 2025-02-13 US disclosed
US-12162854-B2 Production method for fluoromethyl derivative DAIKIN INDUSTRIES, LTD. (JP) 2024-12-10 US disclosed
CN-114773229-B 1,6 Diene compound and preparation method and application thereof 南京工业大学 2024-06-14 CN disclosed
CN-114805148-B Synthesis method of beta-carbonyl sulfide compound 陇东学院 2024-04-23 CN disclosed
CN-115745718-B Preparation method of delta-hydroxy substituted aromatic acetonitrile derivative 浙江工业大学台州研究院 2024-02-13 CN disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
EP-0350012-A2 Antiviral composition MEIJI SEIKA KAISHA LTD. (JP) 1990-01-10 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 (6 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-10112896-B2 Method for synthesizing dissymmetric sulfoether STS, TST, SCLY ALDH1A1 842/4885CYP3A4 580/4885RECQL 3063/4885
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY ALDH1A1 842/4885CYP3A4 580/4885RECQL 3063/4885
US-12162854-B2 Production method for fluoromethyl derivative AFF1, AFF2, ROS1 ALDH1A1 111/4885CYP3A4 79/4885RECQL 4415/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALDH1A1 311/4885CYP3A4 3321/4885RECQL 3313/4885
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE AFF1, AFF2, ROS1 ALDH1A1 111/4885CYP3A4 79/4885RECQL 4415/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 ALDH1A1 311/4885CYP3A4 126/4885RECQL 932/4885

“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.