SCHEMBL787585

SCHEMBL787585

C1=CCCC(c2ccccc2)=C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
HTR2C P28335 1/20 0.33
NPY5R Q15761 1/20 0.30
SCN2A Q99250 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30

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
SCHEMBL19752478 0.88
SCHEMBL7825716 0.86 DPP4 (0.35) ALDH1A1
SCHEMBL24054409 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22755931 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18698151 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20146545 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1006892 0.85 CHRNB4 (0.35) ALDH1A1SIGMAR1HTR2CCHRNB4CHRNA3
SCHEMBL1006893 0.85 CHRNB4 (0.35) ALDH1A1SIGMAR1HTR2CCHRNB4CHRNA3
SCHEMBL20055750 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18903833 0.84 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384383-A Synthesis method and application of epoxy modified organic silicon resin 广州大学 2024-01-12 CN claimed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US claimed
CN-116615193-A Tumoxic acid monoester derivative as selective FABP5 inhibitor, pharmaceutical composition and application thereof 纽约州立大学研究基金会 2023-08-18 CN claimed
CN-109438444-B Imidazo [1, 2-alpha ] pyridine derivative, preparation method and application thereof in allochroic powder 上海甘田光学材料有限公司 2021-03-19 CN claimed
CN-106366689-A Liquid crystal property anthraquinone type bidirectional dye, film containing liquid crystal property anthraquinone type bidirectional dye, and display device containing liquid crystal property anthraquinone type bidirectional dye 北京大学 2017-02-01 CN claimed
US-8884067-B2 Phenol and cyclohexanone mixtures EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-11-11 US claimed
US-20130225867-A1 Phenol and Cyclohexanone Mixtures EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-08-29 US claimed
CN-103157388-A Hydrophilic reverse osmosis composite membrane and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2013-06-19 CN claimed
WO-2012036822-A1 PHENOL AND CYCLOHEXANONE MIXTURES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO claimed
EP-0883635-B1 CONDENSATION PRODUCTS BASED ON TRIAZINES AND FORMALDEHYDE BASF AG (DE) 1999-12-15 EP claimed
JP-58194876-A None JP disclosed
CN-117836282-A Thionolactone, synthetic method, use as comonomer and for polymer functionalization and degradation 法国特种经营公司 2024-04-05 CN disclosed
CN-117736726-A Preparation of polymer-based room temperature phosphorescent material and application of polymer-based room temperature phosphorescent material as anti-counterfeiting material 西北师范大学 2024-03-22 CN disclosed
CN-115448867-B Chiral pyrrolidine and tetrahydrofuran ring compound and preparation method thereof 苏州凯若利新材料科技有限公司 2024-01-05 CN disclosed
CN-117263965-A Light emitting device and condensed polycyclic compound for light emitting device 三星显示有限公司 2023-12-22 CN disclosed
EP-0594624-A4 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE. SCRIPPS CLINIC RES (US) 1994-02-21 EP disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 US disclosed
WO-1992002522-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed
JP-S58194876-A NOVEL TRICYCLIC CAGELIKE AMINE COMPOUND SUMITOMO CHEM CO LTD 1983-11-12 JP 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 (2 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-20130225867-A1 Phenol and Cyclohexanone Mixtures HPD, CYP1A1, HAAO ALDH1A1 1166/4885SIGMAR1 862/4885HTR2C 662/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 ALDH1A1 2048/4885SIGMAR1 4553/4885HTR2C 933/4885

“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.