SCHEMBL17294121

SCHEMBL17294121

CC(C)=CCCC1=CCC2C(=O)C3CC=C(CCC=C(C)C)CC3C(=O)C2C1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.71
ALDH1A1 P00352 2/20 0.71
PKM P14618 1/20 0.71
PGGT1B P53609 1/20 0.71
FNTB P49356 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MCL1 Q07820 13/20 0.58
BCL2L1 Q07817 6/20 0.58
BCL2 P10415 9/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
BID P55957 1/20 0.45
BAK1 Q16611 1/20 0.45

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
SCHEMBL17294107 1.00 FNTA (0.71) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL13976672 0.92 FNTA (0.75) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL17295368 0.92 FNTA (0.75) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL17295471 0.92 FNTA (0.75) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL13976673 0.92 FNTA (0.75) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL11627085 0.83 FNTA (1.00) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL11133830 0.80 FNTA (0.61) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL24362208 0.79 FNTA (0.60) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL13976267 0.78 FNTA (0.72) FNTAALDH1A1PKMPGGT1BFNTB
SCHEMBL15932845 0.77 FNTA (0.65) FNTAALDH1A1PKMPGGT1BFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates BASF SE (DE) 2019-03-12 US disclosed
US-20180215694-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES BASF SE (DE) 2018-08-02 US disclosed
US-9988268-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivatives BASF SE (DE) 2018-06-05 US disclosed
US-9988268-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivatives BASF SE (DE) 2018-06-05 US disclosed
US-9988268-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivatives BASF SE (DE) 2018-06-05 US disclosed
EP-3148928-B1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2018-02-28 EP disclosed
EP-3148928-B1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2018-02-28 EP disclosed
EP-3148927-B1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES BASF SE (DE) 2018-02-28 EP disclosed
US-20170197830-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2017-07-13 US disclosed
US-20170197830-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2017-07-13 US disclosed
US-20170197830-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2017-07-13 US disclosed
EP-3148928-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2017-04-05 EP disclosed
EP-3148927-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES BASF SE (DE) 2017-04-05 EP disclosed
WO-2015181297-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2015-12-03 WO disclosed
WO-2015181297-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES BASF SE (DE) 2015-12-03 WO disclosed
WO-2015181283-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES BASF SE (DE) 2015-12-03 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 (3 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-20170197830-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES ANTXR2, NQO1, DHPS FNTA 2228/4885ALDH1A1 458/4885PKM 3040/4885
US-20180215694-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES NQO1, CYP1B1, SDHA FNTA 655/4885ALDH1A1 162/4885PKM 971/4885
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates NQO1, CYP1B1, SDHA FNTA 655/4885ALDH1A1 162/4885PKM 971/4885

“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.