SCHEMBL11028307

SCHEMBL11028307

CC1=C(O)CC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.32
DUSP3 P51452 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
SCHEMBL10711474 0.76 MAPT (0.33) MAPTDUSP3
SCHEMBL3154825 0.76 DUSP3 (0.34) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL11625099 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20269352 0.70 ALDH1A1 (0.31) ALDH1A1MAPTKDM4EPOLB
SCHEMBL10216432 0.68 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL14648607 0.67
SCHEMBL3162802 0.65
SCHEMBL7401970 0.65 MEN1 (0.48) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL11029124 0.65 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL9073056 0.65 ALDH1A1 (0.31) ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280999-A1 POLARIZING FILM, DISPLAY DEVICE AND PRODUCTION PROCESS THEREOF FUJIFILM CORPORATION (JP) 2016-09-29 US disclosed
US-9382481-B2 Polarizing film, display device and production process thereof FUJIFILM CORPORATION (JP) 2016-07-05 US disclosed
EP-2731933-B1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-9084425-B2 2,3-diphenyl-valeronitrile derivatives, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
US-20130169896-A1 STEREO IMAGE PRINT AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2013-07-04 US disclosed
US-20130120676-A1 STEREO IMAGE PRINT AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2013-05-16 US disclosed
US-20130070899-A1 POLARIZING FILM, DISPLAY DEVICE AND PRODUCTION PROCESS THEREOF FUJIFILM CORPORATION (JP) 2013-03-21 US disclosed
EP-0085158-B1 PROCESS FOR THE PREPARATION OF CYCLOALKENON DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-06-19 EP disclosed
US-4465567-A Process for the manufacture of 3-hydroxy-2-cycloalken-1-one derivatives HOFFMANN-LA ROCHE INC. (US) 1984-08-14 US disclosed
EP-0085158-A2 Process for the preparation of cycloalkenon derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-10 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-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, CYP1A1, CYP4Z1 ALDH1A1 114/4885MAPT 4341/4885KDM4E 1441/4885

“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.