SCHEMBL13757461

SCHEMBL13757461

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPK14 Q16539 2/20 0.35
PARP1 P09874 2/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCR4 P51679 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
HTR4 Q13639 1/20 0.34
LMNA P02545 1/20 0.33
AURKA O14965 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 0.89 ALDH1A1 (0.43) NR4A2ALDH1A1POLBL3MBTL1MAPK14
SCHEMBL8131306 0.86 CRHR1 (0.43) NR4A2ALDH1A1POLBL3MBTL1CCR4
SCHEMBL13757467 0.86 ALDH1A1 (0.41) NR4A2ALDH1A1POLBL3MBTL1MAPK14
SCHEMBL13757417 0.86 HPGD (0.37) NR4A2ALDH1A1PARP1LMNAKDM4E
SCHEMBL13757449 0.84 HTR1B (0.43) NR4A2HTR2AHTR2CHTR7HTR6
SCHEMBL13385166 0.83 NR4A2 (0.42) NR4A2ALDH1A1POLBL3MBTL1MAPK14
SCHEMBL13763599 0.81 ALDH1A1 (0.38) NR4A2ALDH1A1POLBL3MBTL1LMNA
SCHEMBL8273087 0.80 NR4A2 (0.45) NR4A2ALDH1A1POLBL3MBTL1MAPK14
SCHEMBL13757419 0.80 TSHR (0.43) ALDH1A1HTR1AHTR1DHTR2AHTR2C
SCHEMBL13763607 0.79 ALDH1A1 (0.42) NR4A2ALDH1A1POLBL3MBTL1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
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-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.