SCHEMBL6898460

SCHEMBL6898460

C[CH]c1ccc2c(c1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
STS P08842 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 2/20 0.36

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
SCHEMBL27877854 0.95 ALDH1A1 (0.41) TSHRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL1525600 0.77 ALDH1A1 (0.53) TSHRADRA2AADRA2BADRA2CSTS
SCHEMBL7159141 0.77 ALDH1A1 (0.43) TSHRADRA2AADRA2BADRA2CSTS
SCHEMBL5958010 0.76 ALDH1A1 (0.51) TSHRADRA2AADRA2BADRA2CSTS
SCHEMBL33130 0.73 ALDH1A1 (0.43) TSHRADRA2AADRA2BADRA2CSTS
SCHEMBL7512041 0.73 ALDH1A1 (0.53) TSHRSTSALDH1A1MEN1GAA
SCHEMBL1525801 0.73 ALDH1A1 (0.53) TSHRSTSALDH1A1MEN1GAA
SCHEMBL29942408 0.73 ALDH1A1 (0.53) TSHRSTSALDH1A1MEN1GAA
SCHEMBL12745318 0.72 MAPK1 (0.48) ADRA2AADRA2BADRA2CTRPV1ALDH1A1
SCHEMBL12745011 0.72 ALDH1A1 (0.46) TSHRADRA2AADRA2BADRA2CSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
US-6022564-A Method for producing a microparticle TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-08 US disclosed
WO-1999065474-A2 COMPOSITIONS FOR TREATING CARTILAGE DISEASE COMPRISING CERTAIN SULFUR-CONTAINING HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed
EP-0949927-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed
EP-0930874-A2 A METHOD FOR PRODUCING A MICROPARTICLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-28 EP disclosed
US-5910492-A PREVENTION AND TREATMENT OF BONE DISEASES, REPAIR OF BONE TISSUE, REGENERATION OF PERIODONTAL TISSUE; SHORTENED HEALING TIME TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-08 US disclosed
WO-1998047485-A2 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed
WO-1998015263-A2 A METHOD FOR PRODUCING A MICROPARTICLE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-16 WO disclosed
EP-0831808-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 1998-04-01 EP disclosed
WO-1998008517-A2 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
WO-1996039134-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-12 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 TSHR 3530/4885ADRA2A 1585/4885ADRA2B 1669/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C TSHR 4223/4885ADRA2A 4535/4885ADRA2B 4578/4885

“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.