SCHEMBL5468751

SCHEMBL5468751

CCOC(=O)CC1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.47
XBP1 P17861 1/20 0.47
TSHR P16473 2/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
UGCG Q16739 1/20 0.43

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
SCHEMBL9181002 0.96 ALDH1A1 (0.46) ALDH1A1HTTXBP1TSHRBLM
SCHEMBL3348647 0.92 CYP1A2 (0.47) ALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL30618514 0.92 CYP1A2 (0.47) ALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL467497 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2HPGDKDM4E
SCHEMBL4819783 0.83 HSD17B1 (0.56) KMT2ACYP11B1CYP11B2TP53MEN1
SCHEMBL4632528 0.83 HSD17B1 (0.56) KMT2ACYP11B1CYP11B2TP53MEN1
SCHEMBL2358440 0.83 HSD17B1 (0.56) KMT2ACYP11B1CYP11B2TP53MEN1
SCHEMBL19984866 0.82 CYP1A2 (0.49) TSHRCYP1A2
SCHEMBL10529556 0.82 CYP11B1 (0.43) ALDH1A1HTTXBP1CYP11B1CYP11B2
SCHEMBL3854355 0.82 FFAR1 (0.45) ALDH1A1CYP11B1CYP11B2HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
CN-109320496-B Selenocyanization reagent and preparation method and application thereof 南宁师范大学 2020-10-16 CN disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
US-20070117860-A1 Bicyclic indolinesulphonamide derivatives BAYER HEALTHCARE AG (DE) 2007-05-24 US disclosed
US-20070117860-A1 Bicyclic indolinesulphonamide derivatives BAYER HEALTHCARE AG (DE) 2007-05-24 US disclosed
US-20070117860-A1 Bicyclic indolinesulphonamide derivatives BAYER HEALTHCARE AG (DE) 2007-05-24 US disclosed
EP-1654227-A1 BICYCLIC INDOLINE SULFONAMIDE DERIVATIVES Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
WO-2005016881-A1 BICYCLIC INDOLINE SULFONAMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-02-24 WO disclosed
US-6133446-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 2000-10-17 US disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 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 (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-20070117860-A1 Bicyclic indolinesulphonamide derivatives PPARD, PPARA, PPARG ALDH1A1 2025/4885HTT 3635/4885XBP1 1784/4885
US-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 ALDH1A1 3543/4885HTT 4509/4885XBP1 1470/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 ALDH1A1 3543/4885HTT 4509/4885XBP1 1470/4885

“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.