SCHEMBL3575608

SCHEMBL3575608

Cc1[nH]c(C(=O)OC(C)(C)C)c(C(C)C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
IGF1R P08069 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13983006 0.81 ALDH1A1 (0.63) ALDH1A1IGF1RNPSR1LMNAMAPK1
SCHEMBL3584691 0.79 RAB9A (0.56) ALDH1A1NPSR1MAPK1
SCHEMBL28146850 0.74 NPSR1 (0.56) ALDH1A1NPSR1LMNAMAPK1CYP1A2
SCHEMBL4552206 0.73 GABRA1 (0.31)
SCHEMBL1126580 0.73 NPSR1 (0.51) ALDH1A1NPSR1LMNAMAPK1L3MBTL1
SCHEMBL6325990 0.71 CYP1A2 (0.67) ALDH1A1NPSR1LMNAMAPK1CYP1A2
SCHEMBL14236103 0.70 NPSR1 (0.70) ALDH1A1NPSR1LMNAMAPK1CYP1A2
SCHEMBL6321766 0.70 CYP1A2 (0.58) ALDH1A1IGF1RNPSR1LMNAMAPK1
SCHEMBL1627629 0.68 HPGD (0.76) ALDH1A1IGF1RLMNAMAPK1CYP1A2
SCHEMBL13919303 0.67 IGF1R (0.61) ALDH1A1IGF1RNPSR1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 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 (1 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E ALDH1A1 2016/4885IGF1R 3756/4885NPSR1 3285/4885

“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.