SCHEMBL10241943

SCHEMBL10241943

CCCCOc1cc(C)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
TDP1 Q9NUW8 3/20 0.55
CYP2C9 P11712 2/20 0.55
PPARA Q07869 2/20 0.55
TTR P02766 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C8 P10632 1/20 0.55
CHRM1 P11229 1/20 0.55
ADRA1A P35348 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLCO1B3 Q9NPD5 1/20 0.55
CISD1 Q9NZ45 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL13475545 0.94 TSHR (0.62) TSHRTDP1CYP2C9PPARATTR
SCHEMBL2712500 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL13475548 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL13475543 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL822786 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL13475550 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL4102060 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL6738557 0.92 TSHR (0.60) TSHRTDP1CYP2C9PPARATTR
SCHEMBL172302 0.90 TSHR (0.61) TSHRTDP1CYP2C9PPARATTR
SCHEMBL5266458 0.90 TSHR (0.70) TSHRTDP1CYP2C9PPARATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
EP-0342989-A2 Polymaleimide compounds and process for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 TSHR 4526/4885TDP1 3076/4885CYP2C9 2048/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TSHR 508/4885TDP1 4683/4885CYP2C9 1607/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 TSHR 4639/4885TDP1 3547/4885CYP2C9 1429/4885

“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.