SCHEMBL22732246

SCHEMBL22732246

CC12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C(C(=O)CN)CC[C@@H]12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.84
CYP3A4 P08684 7/20 0.84
ALDH1A1 P00352 6/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
MAPT P10636 5/20 0.84
MAPK1 P28482 4/20 0.84
SHBG P04278 4/20 0.84
SERPINA6 P08185 4/20 0.84
HSD17B10 Q99714 4/20 0.84
ABCB11 O95342 2/20 0.84
TSHR P16473 4/20 0.78
NR3C1 P04150 4/20 0.78
PGR P06401 4/20 0.78
AR P10275 3/20 0.78
GPBAR1 Q8TDU6 3/20 0.78
SIGMAR1 Q99720 3/20 0.78
CYP2C9 P11712 2/20 0.78
HIF1A Q16665 2/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78

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
Desoxycorticosterone SCHEMBL25773308 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL25933805 0.91 CYP3A4 (0.84) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL15763287 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL2169764 0.91 CYP3A4 (0.84) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL13752803 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL4065 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL18891475 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL21243062 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL28269906 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL4066 0.91 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200376013-A1 SELECTIVE DRUG DELIVERY COMPOSITIONS AND METHODS OF USE AVELAS BIOSCIENCES, INC. 2020-12-03 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 (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-20200376013-A1 SELECTIVE DRUG DELIVERY COMPOSITIONS AND METHODS OF USE ABCG2, CD44, PITRM1 LMNA 443/4885CYP3A4 4422/4885ALDH1A1 3790/4885

“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.