SCHEMBL867094

SCHEMBL867094

CC[CH]CC1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
ADH1A P07327 3/20 0.34
ADH1C P00326 2/20 0.34
ADH1B P00325 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
SHBG P04278 1/20 0.33
ACHE P22303 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 3/20 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
SCHEMBL866853 1.00 CYP1A2 (0.42) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL866538 1.00 CYP1A2 (0.42) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL868167 1.00 CYP1A2 (0.42) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL867237 1.00 CYP1A2 (0.42) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL867426 0.97
SCHEMBL867132 0.92
SCHEMBL491636 0.86
SCHEMBL2021416 0.83 ADH1B (0.40) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL3848698 0.83 ADH1B (0.40) CYP1A2ADH1AADH1CADH1BADH4
SCHEMBL6873949 0.83 ADH1B (0.40) CYP1A2ADH1AADH1CADH1BADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237774-B1 THE USE OF 6-HALOGENO-(1,2,4)-TRIAZOLO-(1,5-a)-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LTD (US) 2016-06-22 EP disclosed
EP-1662877-B1 6-HALOGENO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES FOR COMBATING ANIMAL PESTS MERIAL LTD (US) 2014-12-17 EP disclosed
US-8664235-B2 6-Halogeno-[1,2,4]triazolo[1,5-a]pyrimidines for combating animal pests MERIAL LIMITED (US) 2014-03-04 US disclosed
US-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-05-03 US disclosed
EP-2443109-A1 TRIAZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT BASF SE (DE) 2012-04-25 EP disclosed
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
EP-2443097-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
EP-2443099-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-25 EP disclosed
EP-2440535-A1 ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-18 EP disclosed
US-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent BASF SE (DE) 2012-04-12 US disclosed
US-6054412-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0931072-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
EP-0862558-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO 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-20120088664-A1 Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent STS, TST, ERG28 CYP1A2 85/4885ADH1A 3849/4885ADH1C 4070/4885
US-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 CYP1A2 26/4885ADH1A 4065/4885ADH1C 4315/4885

“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.