SCHEMBL1738342

SCHEMBL1738342

CCc1cc(Br)cc(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GFER P55789 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GABRB1 P18505 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAOA P21397 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8409093 0.86 GABRA1 (0.50) GFERGABRA1GABRB2CYP3A4TSHR
SCHEMBL13623354 0.83 SHBG (0.59) SHBGESR1ESR2GFERGABRA1
SCHEMBL17204833 0.80 CYP3A4 (0.38) SHBGGFERGABRA1ALDH1A1CYP3A4
SCHEMBL6542408 0.80 PTPN1 (0.41) ESR1ESR2GFERGABRA1GABRB2
SCHEMBL11613709 0.80 CYP3A4 (0.56) GFERGABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL15065038 0.80 GABRA1 (0.50) GFERGABRA1GABRB2CYP3A4TSHR
SCHEMBL13623356 0.79 PRKCE (0.46) SHBGESR1ESR2GFERGABRA1
SCHEMBL15758556 0.79 ALOX5 (0.46) ESR1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL49544 0.78 CA1 (0.58) ESR1ESR2GABRA1GABRB2ALDH1A1
SCHEMBL9749694 0.77 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497692-B Use of magnetic supported catalyst in polyphenylene oxide preparation UNIV ZHEJIANG 2011-03-16 CN claimed
CN-101942087-A Metal ion-hyperbranched polyamide amine complex catalyst and application to preparing polyphenylene oxide (PPO) in water medium UNIV ZHEJIANG 2011-01-12 CN claimed
CN-101544755-B Metallic ion-polyvinyl imidazol complex catalyst and preparation method and application thereof UNIV ZHEJIANG 2010-12-08 CN claimed
CN-101544755-A Metallic ion-polyvinyl imidazol complex catalyst and preparation method and application thereof UNIV ZHEJIANG 2009-09-30 CN claimed
CN-101497692-A Magnetic supported catalyst and use thereof in polyphenylene oxide preparation UNIV ZHEJIANG (CN) 2009-08-05 CN claimed
CN-101497693-A Metallic ion-polyamide polyamide-amine complex compound catalyst and use for preparing polyphenylene oxide in aqueous medium UNIV ZHEJIANG (CN) 2009-08-05 CN claimed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
CN-102060990-B Magnetic supported catalyst and application thereof in preparing polyphenyleneoxide in aqueous medium UNIV ZHEJIANG 2012-11-14 CN disclosed
US-8252954-B2 Processes for the preparation of calixarene derivatives THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2012-08-28 US disclosed
CN-101942087-B Metal ion-hyperbranched polyamidoamine complex catalyst and application thereof in preparation of polyphenyl ether in aqueous medium UNIV ZHEJIANG 2012-05-09 CN disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
WO-1997028112-A1 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-07 WO disclosed
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed
CN-1137265-A Dihalopropene compounds, insecticides/acaricides containing the same and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1996-12-04 CN disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 SHBG 1379/4885ESR1 1052/4885ESR2 203/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 SHBG 533/4885ESR1 736/4885ESR2 1390/4885

“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.