SCHEMBL16865463

SCHEMBL16865463

COc1cc(C2(C(=O)C(C)C)CC2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
QPCT Q16769 1/20 0.37
CHRM5 P08912 2/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
LPAR1 Q92633 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
SCHEMBL19469640 0.83 AKR1C3 (0.51) KMT2AMEN1L3MBTL1LMNAPDE4A
SCHEMBL28500869 0.75 LMNA (0.81) KMT2AMEN1L3MBTL1LMNAPDE4A
SCHEMBL31184479 0.75 LMNA (0.81) KMT2AMEN1L3MBTL1LMNAPDE4A
SCHEMBL2442759 0.74 HSD11B1 (0.42) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL23836908 0.73 KMT2A (0.52) KMT2AMEN1L3MBTL1LMNATAS1R3
SCHEMBL1465569 0.71 LMNA (0.50) KMT2AMEN1L3MBTL1LMNAPDE4A
SCHEMBL30223686 0.71 LMNA (0.50) KMT2AMEN1L3MBTL1LMNAPDE4A
SCHEMBL13687414 0.71 CYP3A4 (0.55) KMT2AMEN1L3MBTL1LMNATSHR
SCHEMBL20669631 0.70 LMNA (0.45) KMT2AMEN1L3MBTL1LMNATSHR
SCHEMBL16867624 0.70 LMNA (0.65) KMT2AMEN1L3MBTL1LMNAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN KMT2A 3280/4885MEN1 4589/4885L3MBTL1 4673/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 3179/4885MEN1 4632/4885L3MBTL1 4417/4885

“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.