SCHEMBL5114483

SCHEMBL5114483

OCc1csc(Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.56
TSHR P16473 1/20 0.48
DAO P14920 2/20 0.41
CALM1 P0DP23 1/20 0.41
IDH1 O75874 2/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL5110360 0.85 LTB4R (0.53) LTB4RTSHRDAOCALM1IDH1
SCHEMBL1244005 0.83 DAO (0.60) LTB4RTSHRDAOADRA1DADRA1A
SCHEMBL27968472 0.81 LTB4R (0.53) LTB4RDAOCALM1BCL2BCL2L1
SCHEMBL27968480 0.78 LTB4R (0.57) LTB4RDAOCALM1ALDH1A1HPGD
SCHEMBL20620966 0.77
SCHEMBL11199148 0.74 LTB4R (0.46) LTB4RDAOCALM1IDH1BCL2
SCHEMBL20788287 0.74 LTB4R (0.46) LTB4RDAOCALM1ALDH1A1HPGD
SCHEMBL27705964 0.74 LTB4R (0.46) LTB4RDAOCALM1IDH1BCL2
SCHEMBL11397302 0.74 DAO (0.73) LTB4RTSHRDAORAB9A
SCHEMBL10955976 0.73 CALM1 (0.46) LTB4RTSHRDAOCALM1IDH1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US claimed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
EP-0056154-B1 PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-3-VINYL-CYCLOPROPANE-CARBOXYLIC ACIDS AND THEIR ESTERS BAYER AG (DE) 1984-05-23 EP disclosed
US-4440955-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
US-4423243-A Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters BAYER AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0056154-A1 Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropane-carboxylic acids and their esters BAYER AG (DE) 1982-07-21 EP disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4252820-A Arthropodicidal 2,2-dimethyl-3-(2-perfluoroalkyl-2-perhaloalkyl-vinyl)-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 EP disclosed
EP-0008340-A1 Fluoroalkenyl-substituted cyclopropanecarboxylic acid esters, intermediate products therefor, preparation of the compounds and their utilization as insecticides and/or acaricides BAYER AG (DE) 1980-03-05 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 LTB4R 1488/4885TSHR 2066/4885DAO 59/4885

“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.