SCHEMBL14200042

SCHEMBL14200042

Cc1ccc(C(C)C)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
ACHE P22303 9/20 0.51
BCHE P06276 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL20132718 0.88 KEAP1 (0.51) KEAP1NFE2L2ACHEBCHEL3MBTL1
SCHEMBL12868786 0.87 FFAR4 (0.54) L3MBTL1HTTSMN1; SMN2MAPTMAPK1
SCHEMBL682767 0.87 MAPT (0.49) L3MBTL1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL15763278 0.84 KEAP1 (0.48) KEAP1NFE2L2L3MBTL1HTTSMN1; SMN2
SCHEMBL24726468 0.84 MAOB (0.48) ACHEBCHEL3MBTL1HTTSMN1; SMN2
SCHEMBL12738664 0.83 NPC1 (0.55) BCHEHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL14200018 0.83 MAPT (0.45) L3MBTL1SMN1; SMN2MAPTMAPK1TDP1
SCHEMBL17833745 0.83 SMPD1 (0.53) ACHEBCHEHTTSMN1; SMN2MAPK1
SCHEMBL14200029 0.82 MAOB (0.52)
SCHEMBL14200152 0.82 ACHE (0.47) KEAP1NFE2L2ACHEBCHEL3MBTL1

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (9 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 KEAP1 1736/4885NFE2L2 3374/4885ACHE 4284/4885
US-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KEAP1 818/4885NFE2L2 2001/4885ACHE 849/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 KEAP1 2115/4885NFE2L2 2221/4885ACHE 4391/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 KEAP1 3335/4885NFE2L2 2293/4885ACHE 3621/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 KEAP1 1675/4885NFE2L2 3335/4885ACHE 4327/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KEAP1 818/4885NFE2L2 2001/4885ACHE 849/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KEAP1 818/4885NFE2L2 2001/4885ACHE 849/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 KEAP1 3335/4885NFE2L2 2293/4885ACHE 3621/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KEAP1 3184/4885NFE2L2 3273/4885ACHE 4329/4885

“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.