SCHEMBL2303328

SCHEMBL2303328

CCOC(=O)CCC(C)(C)COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FKBP1A P62942 2/20 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
SCHEMBL2139571 0.85 MEN1 (0.45) KMT2AMEN1LMNAPOLBTSHR
SCHEMBL6468977 0.82 MEN1 (0.41) KMT2AMEN1LMNAPOLB
SCHEMBL25176578 0.82 KMT2A (0.44) KMT2AMEN1LMNAPOLBTSHR
SCHEMBL13054012 0.81 MEN1 (0.33) KMT2AMEN1RAB9ANPC1L3MBTL1
SCHEMBL186143 0.81 MEN1 (0.36) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL12064263 0.80 MEN1 (0.35) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL8003850 0.80 MEN1 (0.48) KMT2AMEN1LMNAPOLBTSHR
SCHEMBL374442 0.79 KMT2A (0.44) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL6468901 0.78 MEN1 (0.39) KMT2AMEN1LMNAPOLB
SCHEMBL1263510 0.78 MEN1 (0.50) KMT2AMEN1LMNAPOLBALDH1A1

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
US-20130338141-A1 HIV INTEGRASE INHIBITORS ISAACS RICHARD C (US) 2013-12-19 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
EP-2349276-A2 HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010042392-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2010-04-15 WO disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 US disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 US disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 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-20130338141-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A KMT2A 1215/4885MEN1 3763/4885LMNA 815/4885
US-20100087419-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A KMT2A 1215/4885MEN1 3763/4885LMNA 815/4885

“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.