SCHEMBL2707985

SCHEMBL2707985

CC(C)(C)c1ccc2cc3c(cc2c1)oc1cc(C(C)(C)C)ccc13

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
DYRK1A Q13627 1/20 0.36
PON1 P27169 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIF11 P52732 3/20 0.34
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAM17 P78536 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL16807640 0.93 DYRK1A (0.37) NR1I2DYRK1APON1ALDH1A1ALOX15
SCHEMBL23874640 0.90 KIF11 (0.41) PON1ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL24502187 0.89 AHR (0.45) PON1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL16810162 0.88 KIF11 (0.37) NR1I2DYRK1APON1ALDH1A1ALOX15
SCHEMBL16810164 0.87 AHR (0.44) PON1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL13465056 0.87 CYP1A2 (0.40) NR1I2DYRK1APON1ALDH1A1MAPT
SCHEMBL13464900 0.87 CYP1A2 (0.37) NR1I2DYRK1APON1ALDH1A1MAPT
SCHEMBL18462640 0.87 TBK1 (0.34) NR1I2DYRK1APON1ALDH1A1HSD17B10
SCHEMBL18595903 0.85 CYP2A6 (0.41) NR1I2DYRK1APON1ALDH1A1ALOX15
SCHEMBL16806115 0.85 ALDH1A1 (0.41) NR1I2PON1ALDH1A1ALOX15HSD17B10

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 17 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-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-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-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 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1I2 3435/4885DYRK1A 4823/4885PON1 3545/4885

“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.