SCHEMBL1127285

SCHEMBL1127285

CC(C)CCn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
CREBBP Q92793 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KAT2B Q92831 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 3/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL17885856 0.87 ALDH1A1 (0.68) ALDH1A1CREBBPKAT2BSMN1; SMN2CNR2
SCHEMBL28589803 0.85 SLC22A12 (0.61) PLK1CREBBPKMT2AMEN1CNR2
SCHEMBL5069182 0.85 PLK1 (0.64) PLK1ALDH1A1MAPTCREBBPKMT2A
SCHEMBL1127864 0.85 NR4A2 (0.68) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5065671 0.83 CNR2 (0.68) PLK1ALDH1A1MAPTCREBBPCNR2
SCHEMBL28577087 0.82 CNR2 (0.53) ALDH1A1MAPTCREBBPKMT2AMEN1
SCHEMBL12168491 0.81 CNR2 (0.65) PLK1ALDH1A1MAPTCREBBPKMT2A
SCHEMBL30384771 0.81 CNR2 (0.65) PLK1ALDH1A1MAPTCREBBPKMT2A
SCHEMBL2643935 0.81 PTGDR2 (0.43) PLK1ALDH1A1MAPTKMT2ACNR2
SCHEMBL13619970 0.81 KMT2A (0.44) ALDH1A1KMT2AMEN1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651922-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Janssen R&D Ireland (IE) 2013-10-23 EP disclosed
WO-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed
CN-102026990-A Novel inhibitors of hepatitis c virus replication INTERMUNE INC 2011-04-20 CN disclosed
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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 (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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF PLK1 1054/4885ALDH1A1 1614/4885MAPT 4342/4885

“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.