SCHEMBL13385166

SCHEMBL13385166

CCOc1cc(OC(C)C)c2cccc(Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.42
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
NR1H4 Q96RI1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK2A1 P68400 2/20 0.35
MAPK14 Q16539 1/20 0.34
PARP1 P09874 1/20 0.34
MCHR1 Q99705 1/20 0.34
P2RX3 P56373 1/20 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
SCHEMBL13763738 0.88 ALDH1A1 (0.43) NR4A2ALDH1A1POLBL3MBTL1MEN1
SCHEMBL13757511 0.86 SMN1; SMN2 (0.41) NR4A2ALDH1A1POLBNR1H4L3MBTL1
SCHEMBL13757531 0.85 NR4A2 (0.39) NR4A2ALDH1A1POLBNR1H4L3MBTL1
SCHEMBL8131306 0.85 CRHR1 (0.43) NR4A2ALDH1A1POLBL3MBTL1MAPT
SCHEMBL13757532 0.85 NR4A2 (0.45) NR4A2ALDH1A1L3MBTL1MAPTATM
SCHEMBL13385163 0.84 KDM4E (0.41) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL13757518 0.84 KDM4E (0.43) NR4A2ALDH1A1MCHR1
SCHEMBL13757461 0.83 NR4A2 (0.38) NR4A2ALDH1A1POLBL3MBTL1MAPK14
SCHEMBL13409394 0.82 NR4A2 (0.42) NR4A2ALDH1A1POLBNR1H4L3MBTL1
SCHEMBL13385164 0.82 POLB (0.34) ALDH1A1POLBL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885ALDH1A1 3957/4885POLB 57/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885ALDH1A1 3957/4885POLB 57/4885

“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.