SCHEMBL19736431

SCHEMBL19736431

COC(=O)CC1C=CC(=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.41
▸ BRD4 O60885 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MIF P14174 4/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11419181 0.76 AKR1C4 (0.38) DNTTBRD4KMT2AMAPTALDH1A1
SCHEMBL10022799 0.76 AKR1C4 (0.38) DNTTBRD4KMT2AMAPTALDH1A1
SCHEMBL11419180 0.76 AKR1C4 (0.38) DNTTBRD4KMT2AMAPTALDH1A1
SCHEMBL19720143 0.73 DNTT (0.57) DNTTHTTTSHRSMN1; SMN2
SCHEMBL11939120 0.70 BRD4 (0.35) DNTTBRD4GAAHSD17B10HTT
SCHEMBL14621647 0.68 BRD4 (0.33) DNTTBRD4GAAHSD17B10MIF
SCHEMBL11687845 0.65 HSD17B10 (0.52) BRD4GAAHSD17B10MIFHDAC6
SCHEMBL21485110 0.64 GAA (0.37) BRD4GAAHSD17B10HTTMIF
SCHEMBL16614334 0.64 NFKB1 (0.44) BRD4GAAMIFHDAC6KMT2A
SCHEMBL15418609 0.63 DNTT (0.33) DNTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-12-21 — — 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-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS FADS1, SCD, FASN DNTT 992/4885BRD4 711/4885GAA 1414/4885

“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.

Send feedback