SCHEMBL206706

SCHEMBL206706

O=C(CBr)C12CCC(c3ccc(Br)cc3)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PNMT P11086 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
MME P08473 2/20 0.32
HDAC1 Q13547 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAD52 P43351 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13132754 0.85 MEN1 (0.37) GSK3BMAPTALDH1A1LMNAPOLB
SCHEMBL13132751 0.85 MAPT (0.39) GSK3BMAPTALDH1A1LMNAPOLB
SCHEMBL12302195 0.82 KMT2A (0.38) GSK3BMAPTLMNAPOLBSMN1; SMN2
SCHEMBL205306 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2L3MBTL1PNMT
SCHEMBL206513 0.80 DGAT1 (0.46) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL16407785 0.79 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2PNMT
SCHEMBL31095736 0.79 DGAT1 (0.39) MAPTSMN1; SMN2PNMTCES2CES1
SCHEMBL31095821 0.79 MAPT (0.42) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL22034382 0.79 RAB9A (0.43) MAPTALDH1A1LMNASMN1; SMN2HDAC1
SCHEMBL204803 0.78 CHRM1 (0.39) MAPTALDH1A1LMNAMAPK1SMN1; SMN2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP 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-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-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-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-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
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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885MAPT 2923/4885ALDH1A1 3957/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885MAPT 2923/4885ALDH1A1 3957/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GSK3B 2041/4885MAPT 2923/4885ALDH1A1 3957/4885

“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.