SCHEMBL334471

SCHEMBL334471

C=Cc1cccc2c1CCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
SLC9A1 P19634 4/20 0.35
MTNR1B P49286 6/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.34
SLC9A5 Q14940 1/20 0.34
SLC9A2 Q9UBY0 1/20 0.34
MTNR1A P48039 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL6187776 0.80 KDM4E (0.41) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL29386706 0.80 KDM4E (0.41) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL292330 0.75 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL12809257 0.74 CDK4 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL19480305 0.74 ITGB2 (0.34) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23668349 0.73 ABCG2 (0.37) ALDH1A1
Water SCHEMBL1567615 0.73 MTNR1B (0.40) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL7696185 0.73 MTNR1B (0.39) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6274305 0.73 SLC9A1 (0.35) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL7696186 0.73 MTNR1B (0.39) ITGB2ICAM1ITGALMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039195-A Preparation method of beta-thiocyanate alcohol derivative 山东省分析测试中心 2024-11-29 CN claimed
CN-116640377-B High-flame-retardance conductive material for automotive wires and cables and preparation method thereof 江阴市海江高分子材料有限公司 2024-04-02 CN claimed
CN-116640377-A High-flame-retardance conductive material for automotive wires and cables and preparation method thereof 江阴市海江高分子材料有限公司 2023-08-25 CN claimed
CN-111979629-B Processing method of special carbon fiber fabric for special clothing 安徽宜民服饰股份有限公司 2023-08-25 CN claimed
US-20220073482-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2022-03-10 US claimed
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-20210017143-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON VANDA PHARMACEUTICALS INC. 2021-01-21 US claimed
CN-111979629-A Processing method of special carbon fiber fabric for special clothing 安徽宜民服饰股份有限公司 2020-11-24 CN claimed
CN-111574105-A Environment-friendly composite early strength water reducing agent and preparation method thereof 赵良文 2020-08-25 CN claimed
CN-111518062-A Preparation method of tasimelteon key intermediate 杭州拜善晟生物科技有限公司 2020-08-11 CN claimed
CN-101925589-B Process for producing 4-vinyl-2, 3-dihydrobenzofuran SUMITOMO CHEMICAL CO 2013-03-27 CN claimed
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2013-01-24 US claimed
CN-102816774-A Styrene cyclooxygenase gene and application thereof CHENGDU INST BIOLOGY CAS 2012-12-12 CN claimed
US-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2012-06-14 US claimed
CN-101925589-A Process for producing 4-vinyl-2, 3-dihydrobenzofuran SUMITOMO CHEMICAL CO 2010-12-22 CN claimed
US-20100298584-A1 PROCESS FOR PRODUCTION OF 4-VINYL-2,3-DIHYDROBENZOFURAN SUMITOMO CHEMICAL COMPANY LIMITED 2010-11-25 US claimed
EP-2236504-A1 PROCESS FOR PRODUCTION OF 4-VINYL-2,3-DIHYDROBENZOFURAN Sumitomo Chemical Company, Limited (JP) 2010-10-06 EP claimed
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS VANDA PHARMECEUTICALS INC. (US) 2010-09-09 US claimed
US-7754902-B2 Ruthenium(II) catalysts for use in stereoselective cyclopropanations VANDA PHARMACEUTICALS, INC. (US) 2010-07-13 US claimed
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations R.P. SCHERER TECHNOLOGIES, INC. 2007-11-22 US 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 (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-20120149906-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ITGB2 2989/4885ICAM1 4335/4885ITGAL 2733/4885
US-20210017143-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 ITGB2 3135/4885ICAM1 3543/4885ITGAL 1693/4885
US-20220073482-A1 HIGHLY PURIFIED PHARMACEUTICAL GRADE TASIMELTEON GMPS, TAS2R45, TAS2R10 ITGB2 3135/4885ICAM1 3543/4885ITGAL 1693/4885
US-20130023662-A9 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ITGB2 2989/4885ICAM1 4335/4885ITGAL 2733/4885
US-20100228039-A1 RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS RUVBL2, SPR, RUVBL1 ITGB2 2989/4885ICAM1 4335/4885ITGAL 2733/4885
US-20070270593-A1 Ruthenium(II) catalysts for use in stereoselective cyclopropanations RUVBL2, SPR, RUVBL1 ITGB2 2989/4885ICAM1 4335/4885ITGAL 2733/4885

“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.