SCHEMBL435073

SCHEMBL435073

C[CH]CCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 3/20 0.41
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
HPGD P15428 1/20 0.34
CHRM5 P08912 2/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
METAP1 P53582 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL866722 1.00 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867198 1.00 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867289 1.00 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL867017 1.00 CYP1A2 (0.50) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL497975 0.97
SCHEMBL868345 0.92
SCHEMBL867301 0.85
SCHEMBL5148005 0.84 CYP1A2 (0.58) CYP1A2SIGMAR1EPHX1
SCHEMBL7031133 0.82 CYP1A2 (0.44) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL9719593 0.82 CYP1A2 (0.44) CYP1A2SIGMAR1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656788-A Cyclic imide resin composition, prepreg, copper-clad laminate, and printed circuit board 信越化学工业株式会社 2022-06-24 CN disclosed
CN-108137537-B Imino compounds having 2-chloropyrimidin-5-yl substituents as pest control agents 巴斯夫欧洲公司 2021-07-23 CN disclosed
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-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP 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-0271750-B1 FUNGICIDAL CYCLOHEXYL AMINES BASF Aktiengesellschaft (DE) 1990-10-31 EP disclosed
US-4939171-A Alkyl and alkenyl aryl ether derivatives; cosmetics HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-03 US disclosed
EP-0315913-A1 Antiseborrhoic topical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed
EP-0271750-A1 Fungicidal cyclohexyl amines BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed
US-4324788-A HYPOTENSIVE AGENTS I.S.F. S.P.A. (IT) 1982-04-13 US disclosed
US-4198429-A BRONCHOSPASMOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 US disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 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 (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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 CYP1A2 26/4885SIGMAR1 3126/4885ADH1B 3813/4885

“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.