SCHEMBL17294103

SCHEMBL17294103

CCCCCc1c(C)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ELANE P08246 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MAPK1 P28482 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 2/20 0.53
CASP3 P42574 1/20 0.53
HBB P68871 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PTPN1 P18031 1/20 0.48
CTSG P08311 3/20 0.47
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.42
NSD2 O96028 1/20 0.42
EGFR P00533 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30849360 0.86 ELANE (0.56) ALDH1A1SMN1; SMN2ELANENPC1RAB9A
SCHEMBL11792659 0.85 MAOA (0.53) ALDH1A1SMN1; SMN2ELANENPC1RAB9A
SCHEMBL28256775 0.81 ELANE (0.55) ALDH1A1SMN1; SMN2ELANENPC1RAB9A
SCHEMBL1053183 0.79 ELANE (0.56) ALDH1A1SMN1; SMN2ELANENPC1RAB9A
SCHEMBL28243913 0.78 PTPN1 (0.48) ALDH1A1SMN1; SMN2ELANENPC1RAB9A
Anthraquinone SCHEMBL27877074 0.78 ELANE (0.56) ALDH1A1SMN1; SMN2ELANERAB9AMAPK1
SCHEMBL30389447 0.78 ELANE (0.56) ALDH1A1SMN1; SMN2ELANERAB9AMAPK1
SCHEMBL486105 0.78 ELANE (0.56) ALDH1A1SMN1; SMN2ELANERAB9AMAPK1
Anthraquinone SCHEMBL27601272 0.77 MEN1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL2384212 0.76 PTPN1 (0.47) ALDH1A1SMN1; SMN2ELANENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660918-B Preparation of 2, 6-and 2, 7-disubstituted anthraquinone derivatives 巴斯夫欧洲公司 2019-10-11 CN disclosed
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
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
CN-106660918-A preparation of 2, 6-and 2, 7-disubstituted anthraquinone derivatives 巴斯夫欧洲公司 2017-05-10 CN 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-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 ALDH1A1 458/4885SMN1; SMN2 4589/4885ELANE 672/4885
US-20180215694-A1 PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES NQO1, CYP1B1, SDHA ALDH1A1 162/4885SMN1; SMN2 649/4885ELANE 1381/4885
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates NQO1, CYP1B1, SDHA ALDH1A1 162/4885SMN1; SMN2 649/4885ELANE 1381/4885

“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.