SCHEMBL6120907

SCHEMBL6120907

CCN(C(=O)OC)C(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
NPY5R Q15761 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK2 O75116 1/20 0.40
MMP8 P22894 1/20 0.40
NR4A2 P43354 1/20 0.39
APAF1 O14727 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8749590 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ANR1H2NR1H3
SCHEMBL18931320 0.89 KMT2A (0.43) ALDH1A1L3MBTL1KMT2ANR1H2NR1H3
SCHEMBL5252111 0.85 KMT2A (0.43) ALDH1A1L3MBTL1KMT2ANR1H2NR1H3
SCHEMBL5946930 0.83 NPY5R (0.41) ALDH1A1L3MBTL1KMT2ANR1H2NR1H3
SCHEMBL628088 0.83 NR1H2 (0.44) ALDH1A1L3MBTL1NR1H2NR1H3NPY5R
SCHEMBL27855088 0.83 NR1H2 (0.44) ALDH1A1L3MBTL1NR1H2NR1H3NPY5R
SCHEMBL628344 0.81 NR1H2 (0.47) ALDH1A1NR1H2NR1H3LMNACYP1A2
SCHEMBL27855089 0.81 NR1H2 (0.47) ALDH1A1NR1H2NR1H3LMNACYP1A2
SCHEMBL19772673 0.79 KMT2A (0.47) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL17702833 0.79 KMT2A (0.47) ALDH1A1KMT2ANPY5RLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO 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 (4 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885L3MBTL1 2200/4885KMT2A 3803/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885L3MBTL1 2200/4885KMT2A 3803/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885L3MBTL1 2200/4885KMT2A 3803/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885L3MBTL1 2200/4885KMT2A 3803/4885

“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.