SCHEMBL7797072

SCHEMBL7797072

CCCCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.87
THRB P10828 1/20 0.82
HSP90AA1 P07900 2/20 0.58
LMNA P02545 2/20 0.58
FYN P06241 2/20 0.58
CYP51A1 Q16850 2/20 0.58
ADRA1A P35348 2/20 0.58
NR1I2 O75469 1/20 0.58
PGR P06401 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
TSHR P16473 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58

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
Propiconazole SCHEMBL3005219 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL9321555 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL21081 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL30149161 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL2522027 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL5598958 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL29795708 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL30182039 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Propiconazole SCHEMBL29404305 0.93 CYP3A4 (1.00) CYP3A4THRBHSP90AA1LMNAFYN
Nitric Acid SCHEMBL11541298 0.93 CYP3A4 (0.76) CYP3A4THRBHSP90AA1LMNAFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers CAMDEN JAMES BERGER (US) 2001-11-29 US claimed
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections THE PROCTER & GAMBLE COMPANY 2001-11-08 US claimed
US-6228876-B1 ADMINISTERING 1-(1,3-DIOXOLAN-2-YLMETHY)L- OR 1-(1,3-DIOXAN-2-YLMETHYL)-1H-1,2,4-TRIAZOLE DERIVATIVE THE PROCTER & GAMBLE COMPANY 2001-05-08 US claimed
US-6200992-B1 ADMINISTERING 1H-1,2,4-TRIAZOLE DERIVATIVE, CHEMOTHERAPEUTIC AGENT, AND POTENTIATOR; ANTICARCINOGENIC, ANTITUMOR AGENTS THE PROCTER & GAMBLE COMPANY 2001-03-13 US claimed
US-6110953-A Pharmaceutical composition for inhibiting the growth of cancers THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US claimed
US-6025377-A 1H-1,2,4-TRIAZOLE DERIVATIVE. THESE COMPOUNDS CAN ALSO BE USED TO TREAT VIRAL INFECTIONS. THE PROCTER & GAMBLE COMPANY (US) 2000-02-15 US claimed
US-5872142-A 1,3-DIOXANE OR -DIOXOLANE DERIVATIVES OF 1H-1,2,4-TRIAZOLE THE PROCTER & GAMBLE COMPANY (US) 1999-02-16 US claimed
US-5770616-A 1,2,4-TRIAZOLE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-06-23 US claimed
EP-0841920-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0831814-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-04-01 EP claimed
WO-1997005872-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1997-02-20 WO claimed
WO-1996040119-A1 USE OF 1,2,4-TRIAZOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1996-12-19 WO claimed
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed
EP-0252875-A2 Microbicidal agent CIBA-GEIGY AG (CH) 1988-01-13 EP claimed
US-4160838-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US claimed
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 claimed
US-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers CAMDEN JAMES BERGER (US) 2001-11-29 US disclosed
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections THE PROCTER & GAMBLE COMPANY 2001-11-08 US disclosed
US-5026719-A Synergistic combination of triazole fungicide and morpholine alkylarylsulfonate CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0252875-A2 Microbicidal agent CIBA-GEIGY AG (CH) 1988-01-13 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 (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-20010047015-A1 Pharmaceutical composition for inhibiting the growth of cancers MKI67, CCNI, MYC CYP3A4 152/4885THRB 1259/4885HSP90AA1 1800/4885
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections TP53, HAVCR2, MAVS CYP3A4 1564/4885THRB 1657/4885HSP90AA1 631/4885

“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.