SCHEMBL324037

SCHEMBL324037

Cc1cc(COC(=O)N2C=Cc3ccccc3C2)no1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
EGFR P00533 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KLK7 P49862 1/20 0.35
PTGER1 P34995 1/20 0.35
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
ACACB O00763 1/20 0.34
NPC1 O15118 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
LMNA P02545 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL324917 0.83 KMT2A (0.42) ALDH1A1L3MBTL1RAB9ANPC1LMNA
SCHEMBL14893014 0.81 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9AGAANPC1
SCHEMBL323568 0.81 ALDH1A1 (0.49) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL15056293 0.81 DPP4 (0.41) GABRA1GABRA5
SCHEMBL29493251 0.80 HDAC3 (0.41) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL15056964 0.80 HDAC3 (0.41) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL324798 0.80 GRIN2B (0.40) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL15057230 0.79 NPC1 (0.43) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL324968 0.79 ALDH1A1 (0.44) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL324797 0.79 GABRA1 (0.33) GABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MAPT 4762/4885RECQL 724/4885EGFR 1482/4885

“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.