SCHEMBL14985665

SCHEMBL14985665

Cc1ccc2c(ccc3c4ccc(C)cc4c(=O)oc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
ESR2 Q92731 7/20 0.46
ESR1 P03372 4/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKLR P30613 1/20 0.40
GALNT2 Q10471 1/20 0.40
GALNT1 Q10472 1/20 0.40
GALNT3 Q14435 1/20 0.40
GALNT10 Q86SR1 1/20 0.40
GALNT13 Q8IUC8 1/20 0.40
GALNT6 Q8NCL4 1/20 0.40
GALNT14 Q96FL9 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL14985659 0.87 ELANE (0.45) ELANEESR2ESR1ALDH1A1KDM4E
SCHEMBL16622744 0.87 ELANE (0.45) ELANEESR2ESR1ALDH1A1KDM4E
SCHEMBL18327955 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL6825648 0.77 ESR2 (0.77) ESR2ESR1ALDH1A1KDM4EGAA
SCHEMBL12433581 0.77 CYP1A2 (0.44) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL2707244 0.76 NR1I2 (0.41) ESR2ESR1ALDH1A1KDM4EMAPT
SCHEMBL26766938 0.74 ESR2 (0.62) ESR2ESR1PKLRGALNT2GALNT1
SCHEMBL19793345 0.74 ELANE (0.53) ELANEALDH1A1KDM4ELMNAMAPT
SCHEMBL862799 0.74 PDE2A (0.56) ELANEESR2ESR1ALDH1A1KDM4E
SCHEMBL23060994 0.72 KMT2A (0.45) ALDH1A1KDM4ELMNAMAPTKMT2A

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
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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 (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-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ELANE 1237/4885ESR2 4021/4885ESR1 4094/4885

“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.