SCHEMBL1193563

SCHEMBL1193563

C[CH]C(C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
EPHX1 P07099 2/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1192487 1.00 SHBG (0.40) SHBGEPHX1ADH1BADH1CADH1A
SCHEMBL1193243 1.00 SHBG (0.40) SHBGEPHX1ADH1BADH1CADH1A
SCHEMBL1193089 0.97
SCHEMBL1193155 0.92
SCHEMBL1192822 0.85
SCHEMBL7991278 0.77
SCHEMBL7991281 0.77
SCHEMBL21114300 0.76 ADH1A (0.41) SHBGEPHX1ADH1BADH1CADH1A
SCHEMBL21114234 0.76 ADH1A (0.41) SHBGEPHX1ADH1BADH1CADH1A
SCHEMBL21114321 0.76 ADH1A (0.41) SHBGEPHX1ADH1BADH1CADH1A

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 49 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-20110028495-A1 THE USE OF 6-HALOGENO-[1,2,4]-TRIAZOLO-[1,5-a]-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LIMITED 2011-02-03 US disclosed
EP-2237774-A1 THE USE OF 6-HALOGENO-Ý1,2,4¨-TRIAZOLO-Ý1,5-A¨-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS Merial Limited (US) 2010-10-13 EP disclosed
WO-2009080546-A1 THE USE OF 6-HALOGENO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS BASF SE (DE) 2009-07-02 WO disclosed
US-7355053-B2 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 US disclosed
US-20060264446-A1 6-Halogeno-[1,2,4]triazolo[1,5-a]pyrimidines for combating animal pests BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 US disclosed
EP-1662877-A1 6-HALOGENO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-06-07 EP disclosed
US-20060019831-A1 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2006-01-26 US disclosed
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN 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-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 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 (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-20060264446-A1 6-Halogeno-[1,2,4]triazolo[1,5-a]pyrimidines for combating animal pests PNPO, PYM1, HAX1 SHBG 3592/4885EPHX1 384/4885ADH1B 3743/4885
US-20060019831-A1 1-phenylpyrrolidine-2-one-3-carboxamides RXFP1, REN, NPY1R SHBG 4578/4885EPHX1 2156/4885ADH1B 2227/4885
US-20110028495-A1 THE USE OF 6-HALOGENO-[1,2,4]-TRIAZOLO-[1,5-a]-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS TK1, TCOF1, TH SHBG 4595/4885EPHX1 2165/4885ADH1B 2116/4885

“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.