SCHEMBL3370616

SCHEMBL3370616

CCOC(=O)Cn1c(C)cc2c1CC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.39
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
MAPK1 P28482 1/20 0.36
PARG Q86W56 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL370114 0.90 RAB9A (0.41) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL13417273 0.80 LMNA (0.55) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL3372555 0.80 LMNA (0.53) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL13417154 0.79 LMNA (0.52) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL3376310 0.77 ALDH1A1 (0.49) RAB9ATSHRALDH1A1KDM4EGSK3A
SCHEMBL3372001 0.74 KDM4E (0.42) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL367506 0.73 TSHR (0.43) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL16507769 0.70 RAB9A (0.43) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL1055360 0.68 LMNA (0.51) RAB9ALMNATSHRALDH1A1KDM4E
SCHEMBL13417361 0.67 LMNA (0.44) LMNATSHRALDH1A1KDM4EMAPK1

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
US-20130259830-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130259830-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130259830-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
WO-2012009134-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 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 (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-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 RAB9A 1353/4885LMNA 4591/4885TSHR 356/4885
US-20130259830-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 RAB9A 1414/4885LMNA 4624/4885TSHR 369/4885

“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.