SCHEMBL976714

SCHEMBL976714

[C]1[C]=CCc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL29246 0.75
SCHEMBL416847 0.71 TSHR (0.31) TSHR
SCHEMBL8492495 0.65
SCHEMBL917202 0.64 MAOA (0.34)
SCHEMBL4955366 0.62 CA1 (0.34) TSHR
SCHEMBL15154 0.62 TSHR (0.31) TSHR
SCHEMBL15466839 0.60 CA1 (0.37)
SCHEMBL1848730 0.60
SCHEMBL876180 0.60 TSHR (0.33) TSHR
SCHEMBL4350203 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803129-B2 CONTAINING MODIFIED COUMARIN COMPOUNDS; STABILITY, BRIGHTNESS, PURITY RITDISPLAY CORPORATION (TW) 2004-10-12 US claimed
US-6399756-B1 OLIGONUCLEOTIDE ISIS PHARMACEUTICALS, INC. 2002-06-04 US claimed
US-6326478-B1 OLIGONUCLEOTIDES AND MEDICAL DIAGNOSIS, METABOLISM ISIS PHARMACEUTICALS, INC. 2001-12-04 US claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-20140113093-A1 Polymers with reduced estrogenic activity SOLVAY SPECIALITY POLYMERS USA, LLC (US) 2014-04-24 US disclosed
WO-2012160172-A1 POLYMERS WITH REDUCED ESTROGENIC ACTIVITY SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2012-11-29 WO disclosed
US-8288077-B2 Chemically amplified resist composition and salt employed therein SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20110020749-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND SALT EMPLOYED THEREIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-6803129-B2 CONTAINING MODIFIED COUMARIN COMPOUNDS; STABILITY, BRIGHTNESS, PURITY RITDISPLAY CORPORATION (TW) 2004-10-12 US disclosed
CN-1213382-A Catalyst system and components EXXON CHEMICAL PATENTS INC (US) 1999-04-07 CN disclosed
EP-0880549-A2 CATALYST SYSTEM AND COMPONENTS EXXON CHEMICAL PATENTS INC. (US) 1998-12-02 EP disclosed
WO-1997030096-A2 CATALYST SYSTEM AND COMPONENTS EXXON CHEMICAL PATENTS INC. (US) 1997-08-21 WO disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 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 (4 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 TSHR 2164/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 TSHR 227/4885
US-20110020749-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND SALT EMPLOYED THEREIN RER1, RARA, RARG TSHR 1355/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 TSHR 227/4885

“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.