SCHEMBL9729882

SCHEMBL9729882

c1ccc(C2(Cn3cncn3)OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HSP90AA1 P07900 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 5/20 0.46
CYP3A4 P08684 4/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
Hydrochloric Acid SCHEMBL410056 0.98 GAA (0.50) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL11547879 0.94 GAA (0.49) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL15763348 0.89 LMNA (0.48) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL9457977 0.88 KDM4E (0.46) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL28612956 0.86 GAA (0.47) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL9996051 0.85 HSP90AA1 (0.48) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL11547359 0.85 HSP90AA1 (0.48) GAAHSD17B10HSP90AA1NPSR1MAPK1
SCHEMBL11543620 0.85 HSP90AA1 (0.48) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL9087421 0.85 CYP3A4 (0.52) GAAHSD17B10HSP90AA1NPSR1TSHR
SCHEMBL11547515 0.85 HSP90AA1 (0.63) GAAHSD17B10HSP90AA1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 CN disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
EP-0455052-A1 5-(1,2,4-Triazol-l-ylmethyl)-isoxazoline BASF Aktiengesellschaft (DE) 1991-11-06 EP disclosed
US-4160838-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 GAA 1655/4885HSD17B10 454/4885HSP90AA1 465/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 GAA 1142/4885HSD17B10 612/4885HSP90AA1 313/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 GAA 1142/4885HSD17B10 612/4885HSP90AA1 313/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 GAA 1304/4885HSD17B10 619/4885HSP90AA1 334/4885

“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.