SCHEMBL16347382

SCHEMBL16347382

Cc1cc(CO)n(C2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNJ6 P48051 17/20 0.43
KCNJ3 P48549 17/20 0.43
KCNJ5 P48544 14/20 0.43

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
SCHEMBL23240277 0.91 DRD2 (0.38) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL5808161 0.81 KCNJ3 (0.50) KCNJ6KCNJ3KCNJ5
SCHEMBL6525498 0.77 KDM4E (0.46) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL31462462 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL3364096 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL23748795 0.74 KDM4E (0.46) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL23116810 0.74 KCNJ6 (0.40) KDM4EALDH1A1KCNJ6KCNJ3KCNJ5
SCHEMBL12440205 0.74 CRHR1 (0.50) KDM4EKCNJ6KCNJ3KCNJ5
SCHEMBL24964845 0.74 DRD2 (0.38) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3
SCHEMBL854311 0.74 KDM4E (0.46) KDM4EALDH1A1HSD17B10KCNJ6KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
EP-3016653-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF Abide Therapeutics, Inc. (US) 2016-05-11 EP disclosed
WO-2015003002-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. (US) 2015-01-08 WO disclosed
WO-2015003002-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. (US) 2015-01-08 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 (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-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF FAAH, FAAH2, ABHD6 KDM4E 1114/4885ALDH1A1 2203/4885HSD17B10 1905/4885

“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.