SCHEMBL3018633

SCHEMBL3018633

CC(C)(C)OC(=O)N1C[C@@H]2OCc3ccc(O)cc3[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
PDE4B Q07343 8/20 0.42
RORC P51449 1/20 0.41
NAMPT P43490 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NR1H2 P55055 1/20 0.37
TACR1 P25103 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL3024746 1.00 ESR2 (0.48) ESR2PDE4BRORCNAMPTDDB1
SCHEMBL3018630 1.00 ESR2 (0.48) ESR2PDE4BRORCNAMPTDDB1
SCHEMBL3020609 0.91 ESR2 (0.48) ESR2PDE4BRORCNAMPTKDM4E
SCHEMBL3020607 0.91 ESR2 (0.48) ESR2PDE4BRORCNAMPTKDM4E
SCHEMBL3028828 0.89 PDE4B (0.42) ESR2PDE4BRORCNAMPTDDB1
SCHEMBL3028826 0.89 PDE4B (0.42) ESR2PDE4BRORCNAMPTDDB1
SCHEMBL3023879 0.82 CYP2D6 (0.36) ESR2
SCHEMBL3032651 0.81 RORC (0.42) PDE4BRORCNAMPTDDB1CRBN
SCHEMBL3032654 0.81 RORC (0.42) PDE4BRORCNAMPTDDB1CRBN
SCHEMBL3018327 0.78 PDE4B (0.41) ESR2PDE4BRORCNAMPTKDM4E

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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 ESR2 2507/4885PDE4B 773/4885RORC 1536/4885

“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.