SCHEMBL2707244

SCHEMBL2707244

CC(C)(C)c1ccc2c(ccc3c4ccc(C(C)(C)C)cc4c(=O)oc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ESR2 Q92731 7/20 0.40
ESR1 P03372 4/20 0.40
PON1 P27169 1/20 0.38
PKLR P30613 1/20 0.37
GALNT2 Q10471 1/20 0.37
GALNT1 Q10472 1/20 0.37
GALNT3 Q14435 1/20 0.37
GALNT10 Q86SR1 1/20 0.37
GALNT13 Q8IUC8 1/20 0.37
GALNT6 Q8NCL4 1/20 0.37
GALNT14 Q96FL9 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KMT2A Q03164 1/20 0.36
ADAM17 P78536 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL2756604 0.88 ELANE (0.42) NR1I2ESR2ESR1PON1PKLR
SCHEMBL9980111 0.88 ELANE (0.42) NR1I2ESR2ESR1PON1PKLR
SCHEMBL18462386 0.88 TBK1 (0.36) NR1I2ESR2ESR1PON1PKLR
SCHEMBL2706628 0.79 NR1I2 (0.41) NR1I2PON1KMT2AADAM17ALDH1A1
SCHEMBL14985665 0.76 ELANE (0.47) ESR2ESR1PKLRGALNT2GALNT1
SCHEMBL2708231 0.74 MAPT (0.45) NR1I2ESR2ESR1PON1PKLR
SCHEMBL23051297 0.71 KMT2A (0.44) PON1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2705702 0.71 ESR1 (0.41) NR1I2ESR2ESR1PON1CSNK2A1
Benzoquinone SCHEMBL10586825 0.71 NR1I2 (0.49) NR1I2PON1KMT2AADAM17ALDH1A1
SCHEMBL12676878 0.71 NR1I2 (0.35) NR1I2PON1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US 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-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 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
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (8 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 4021/4885ESR1 4094/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885ESR2 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.