SCHEMBL1284085

SCHEMBL1284085

CC(C)(C)C(O)(CCc1ccc(F)cc1)Cn1cncn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.79
ALDH1A1 P00352 2/20 0.79
KMT2A Q03164 1/20 0.53
CYP19A1 P11511 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
LMNA P02545 3/20 0.48
HSP90AA1 P07900 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP51A1 Q16850 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP3A7 P24462 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A43 Q9HB55 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
HDAC3 O15379 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
SCHEMBL2125400 0.93 CYP3A4 (0.68) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL28929228 0.89 CYP3A4 (0.95) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
SCHEMBL1283838 0.88 CYP3A4 (0.81) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL21789 0.88 ALDH1A1 (1.00) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL5595539 0.88 ALDH1A1 (1.00) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL3687918 0.88 ALDH1A1 (1.00) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL899465 0.88 ALDH1A1 (1.00) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
SCHEMBL10475529 0.88 CYP3A4 (0.62) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL5968964 0.87 ALDH1A1 (0.97) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9
Tebuconazole SCHEMBL15483965 0.87 ALDH1A1 (0.97) CYP3A4ALDH1A1KMT2ACYP19A1CYP2C9

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
EP-0577145-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1997-03-19 EP claimed
EP-0385076-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-07-20 EP claimed
EP-0577145-A1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG GmbH (DE) 1994-01-05 EP claimed
US-4904298-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US claimed
EP-2443099-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-25 EP disclosed
US-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent BASF SE (DE) 2012-04-12 US disclosed
WO-2010146113-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2010-12-23 WO disclosed
EP-0577145-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1997-03-19 EP disclosed
EP-0385076-B1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-07-20 EP disclosed
EP-0577145-A1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG GmbH (DE) 1994-01-05 EP disclosed
US-5248450-A Pyrethroid insecticides, fungicides DESOWAG MATERIALSCHUTZ GMBH (DE) 1993-09-28 US disclosed
EP-0254857-B1 USE OF 1-ARYL-3-HYDROXY-3-ALKYL-4-(1,2,4-TRIAZOL-1-YL)-BUTANE DERIVATIVES AS MICROBICIDAL AGENTS FOR PROTECTING MATERIALS BAYER AG (DE) 1993-04-07 EP disclosed
EP-0385076-A1 Agent or concentrate for the preservation of wood or wooden materials DESOWAG Materialschutz GmbH (DE) 1990-09-05 EP disclosed
EP-0308773-A2 Substituted triazolyl alkanols BAYER AG (DE) 1989-03-29 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 (1 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-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent STS, TST, ERG28 CYP3A4 49/4885ALDH1A1 1568/4885KMT2A 2938/4885

“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.