SCHEMBL982450

SCHEMBL982450

CCCC[CH]OCCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR2 Q9HBW0 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL980849 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL980258 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL983036 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL980131 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL1109718 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL352158 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL982550 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL981238 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL983048 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB
SCHEMBL981112 0.97 TSHR (0.40) TSHRLPAR2LPAR3LPAR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199612-B Porous adsorbent and preparation method and application thereof 荆楚理工学院 2024-06-21 CN claimed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US claimed
CN-116199612-A Porous adsorbent and preparation method and application thereof 荆楚理工学院 2023-06-02 CN claimed
US-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
EP-3619220-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES Bayer Aktiengesellschaft (DE) 2020-03-11 EP claimed
EP-2921499-B1 METHOD FOR LIQUID-PHASE SYNTHESIS OF NUCLEIC ACIDS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-22 EP claimed
WO-2018202715-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2018-11-08 WO claimed
US-9040648-B2 Polymer compositions containing mechanochromic polymers PPG INDUSTRIES OHIO, INC. (US) 2015-05-26 US claimed
US-8889807-B2 Controlled radical polymerization initiators PPG INDUSTRIES OHIO, INC. (US) 2014-11-18 US claimed
WO-2014152259-A1 POLYMER COMPOSITIONS CONTAINING MECHANOCHROMIC POLYMERS PPG INDUSTRIES OHIO, INC. (US) 2014-09-25 WO claimed
US-6204354-B1 DRY ENVIRONMENT BRIDGESTONE CORPORATION (JP) 2001-03-20 US claimed
US-6191217-B1 REACTING POLY(ALKYL VINYLETHER-CO-MALEIMIDE) POLYMER WITH MALEATED POLYALKYLENE AND ALKYL DIAMINE UNDER SUBSTANTIALLY DRY CONDITIONS SUFFICIENT TO FORM POLYALKYLENE GRAFTED POLY(ALKYL VINYLETHER-CO-MALEIMIDE) POLYMER BRIDGESTONE CORPORATION (JP) 2001-02-20 US claimed
US-6133354-A MIXING A POLY(DIALKYLSUBSTITUTED ETHYLENE-CO-MALEIMIDE) POLYMER SUCH AS POLYISOBUTYLENE-CO-MALEIMIDE, AND PLASTICIZERS OR EXTENDERS WITHIN A NON-VULCANIZED THERMOPLASTIC ELASTOMER TO FORM A DAMPING GEL; TENSILE STRENGTH AND TEAR STRENGTH BRIDGESTONE CORPORATION (JP) 2000-10-17 US claimed
EP-0955319-A1 Soft compounds derived from polypropylene grafted disubstituted ethylene-maleimide copolymers Bridgestone Corporation (JP) 1999-11-10 EP claimed
US-5773421-A Antifungal fusacandins ABBOTT LABORATORIES (US) 1998-06-30 US claimed
EP-0802920-A2 ANTIFUNGAL FUSACANDINS Abbott Laboratories (US) 1997-10-29 EP claimed
WO-1996021670-A2 ANTIFUNGAL FUSACANDINS ABBOTT LABORATORIES (US) 1996-07-18 WO claimed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP claimed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP claimed
CN-85108210-A Preparation A80190 antibiotic method 1986-12-03 CN 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 (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-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT TSHR 4604/4885ALDH1A1 3726/4885LPAR2 2030/4885
US-20200079801-A1 TRISUBSTITUTEDSILYLBENZYLBENZIMIDAZOLES AND ANALOGUES PIK3C3, DPM1, ERG28 TSHR 4552/4885ALDH1A1 2607/4885LPAR2 4379/4885

“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.