SCHEMBL2962480

SCHEMBL2962480

CCOc1[c]c(C)ccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.37
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PABPC1 P11940 1/20 0.33
GRK6 P43250 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL128399 0.86 NQO1 (0.43) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL7312275 0.83 KMT2A (0.35) TP53ALDH1A1LTA4HKDM4EMEN1
SCHEMBL743598 0.78 SMN1; SMN2 (0.38) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL28912045 0.77 NQO1 (0.36) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL3523639 0.77 L3MBTL1 (0.38) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL15352909 0.77 NQO1 (0.36) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL159421 0.77 NQO1 (0.36) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL7772526 0.77 NQO1 (0.36) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL7768476 0.77 NQO1 (0.36) NQO1CYP3A4TP53ALDH1A1LTA4H
SCHEMBL7227995 0.77 TSHR (0.43) NQO1CYP3A4TP53ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
WO-2020216669-A1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed
US-4169106-A Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines COOPER LABORATORIES, INC. (US) 1979-09-25 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 (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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R NQO1 751/4885CYP3A4 1530/4885TP53 916/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R NQO1 879/4885CYP3A4 1112/4885TP53 1849/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 NQO1 1274/4885CYP3A4 94/4885TP53 4382/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 NQO1 1274/4885CYP3A4 94/4885TP53 4382/4885

“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.