SCHEMBL8338683

SCHEMBL8338683

CC(=O)NCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
EPHX2 P34913 8/20 0.66
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
P2RX7 Q99572 1/20 0.50
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL1677277 0.88 MEN1 (0.54) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL14341838 0.81 KMT2A (0.63) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL13652574 0.81 KMT2A (0.68) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL2280187 0.81 ALDH1A1 (0.69) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
SCHEMBL12422573 0.81 EPHX2 (0.59) MEN1KMT2AEPHX2
SCHEMBL660424 0.80 ALDH1A1 (0.68) EPHX2ALDH1A1L3MBTL1MAPTP2RX7
SCHEMBL16039630 0.78 KDM4E (0.57) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL14503280 0.78 MEN1 (0.67) MEN1KMT2AEPHX2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL16678441 0.76 GRIN1 (0.51) MEN1KMT2AEPHX2ALDH1A1
SCHEMBL3583903 0.76 KMT2A (0.65) MEN1KMT2AEPHX2ALDH1A1L3MBTL1

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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
WO-1999018065-A1 CHIRAL AMINES CHIROTECH TECHNOLOGY LIMITED (GB) 1999-04-15 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 (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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 MEN1 4127/4885KMT2A 3209/4885EPHX2 1146/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 MEN1 4127/4885KMT2A 3209/4885EPHX2 1146/4885

“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.