SCHEMBL3372001

SCHEMBL3372001

CCOC(=O)Cn1c(C)cc2c1C(C)(C)CCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NLRP3 Q96P20 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK1 P28482 1/20 0.36
PARG Q86W56 1/20 0.36

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
SCHEMBL13417273 0.77 LMNA (0.55) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL3372555 0.77 LMNA (0.53) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL13417154 0.76 LMNA (0.52) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL370114 0.74 RAB9A (0.41) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL3370616 0.74 RAB9A (0.41) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL367506 0.68 TSHR (0.43) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL1055360 0.66 LMNA (0.51) KDM4EALDH1A1RAB9ALMNATSHR
SCHEMBL1988320 0.65 ALDH1A1 (0.66) KDM4EALDH1A1RAB9ATSHRGSK3A
SCHEMBL19913890 0.65 SMN1; SMN2 (0.36) KDM4EALDH1A1RAB9ANLRP3
SCHEMBL9946564 0.64 RAB9A (0.50) KDM4EALDH1A1RAB9ATSHRAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 KDM4E 4506/4885ALDH1A1 851/4885RAB9A 1353/4885

“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.