SCHEMBL5489112

SCHEMBL5489112

[CH2]c1cccc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.56
BAD Q92934 1/20 0.56
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL6570394 0.98 BCL2L1 (0.54) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL466394 0.95 BCL2L1 (0.50) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL7444249 0.85
SCHEMBL10494178 0.81 TSHR (0.44) BCL2L1BADTSHRALDH1A1SMN1; SMN2
SCHEMBL4974372 0.75 BCL2L1 (0.60) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL30717272 0.73 BCL2L1 (0.58) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL598625 0.73 BCL2L1 (0.58) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL5530397 0.73 BCL2L1 (0.58) BCL2L1BADTSHRALDH1A1HTT
Bromide SCHEMBL7104246 0.73 BCL2L1 (0.58) BCL2L1BADTSHRALDH1A1HTT
SCHEMBL6713728 0.71 BCL2L1 (0.56) BCL2L1BADTSHRALDH1A1HTT

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
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
US-6797700-B2 ANTICOAGULANTS AVENTIS PHARMACEUTICALS, INC. 2004-09-28 US claimed
US-6274705-B1 INHIBIT PLATELET AGGREGATION AND THROMBUS FORMATION, USEFUL IN PREVENTION AND TREATMENT OF THROMBOSIS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-14 US claimed
US-5866685-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-02-02 US claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN disclosed
EP-3641776-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY San Diego State University Research Foundation (US) 2020-04-29 EP disclosed
WO-2018237134-A1 ATROPISOMERISM FOR ENHANCED KINASE INHIBITOR SELECTIVITY SAN DIEGO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2018-12-27 WO disclosed
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications GLAZIER ARNOLD 2007-07-26 US disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
US-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications DRUG INNOVATION & DESIGN, INCORPORATED 2003-02-13 US disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 WO disclosed
EP-0848957-A1 Fas LIGAND SOLUBILIZATION INHIBITOR KANEBO LTD. (JP) 1998-06-24 EP disclosed
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
US-3973033-A Compositions and methods for producing a vasodilatory effect with a naphthyl tetrahydrofurfuryl amino-ester LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1976-08-03 US 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-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 BCL2L1 1769/4885BAD 56/4885TSHR 3173/4885
US-20030031677-A1 Exponential pattern recognition based cellular targeting, compositions, methods and anticancer applications EPHA2, EEA1, TPX2 BCL2L1 2976/4885BAD 2069/4885TSHR 2046/4885
US-20070172422-A1 Exponential pattern recognition based cellular targeting compositions, methods and anticancer applications EPHA2, EEA1, HAVCR2 BCL2L1 3087/4885BAD 2011/4885TSHR 1843/4885

“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.