SCHEMBL10199321

SCHEMBL10199321

CC(C)c1ccc2c(c1)OC(C(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KARS1 Q15046 2/20 0.35
TSHR P16473 2/20 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
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RXRA P19793 1/20 0.34
CCNE1 P24864 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
SCHEMBL14015641 0.83 OGA (0.35) LMNAOGA
SCHEMBL10263203 0.82 OGA (0.37) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL9748059 0.81 ESR1 (0.56) ESR1ESR2CHRNA7
SCHEMBL13533357 0.76 CA2 (0.41)
SCHEMBL13533399 0.76 CA2 (0.41)
SCHEMBL13820456 0.76 FFAR1 (0.54) ESR1ESR2FFAR1
SCHEMBL9835336 0.74 ALDH1A1 (0.36) CYP3A4MEN1KMT2ATSHRPDK1
SCHEMBL13820581 0.74 CHRNA7 (0.40) CYP3A4MEN1KMT2AKARS1TSHR
SCHEMBL14015644 0.73 CHRNB2 (0.37) CYP3A4MAPTMAPK1LMNA
SCHEMBL13820728 0.73 CA2 (0.38) FFAR1

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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 US disclosed
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR ESR1 773/4885ESR2 1015/4885CYP3A4 2948/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 ESR1 3074/4885ESR2 2536/4885CYP3A4 3260/4885

“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.