SCHEMBL24102468

SCHEMBL24102468

CC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(O)CCC3C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 7/20 1.00
CYP3A4 P08684 6/20 0.71
CYP19A1 P11511 8/20 0.68
LMNA P02545 3/20 0.65
HSD17B10 Q99714 3/20 0.65
AR P10275 3/20 0.65
NR3C1 P04150 2/20 0.65
PGR P06401 2/20 0.65
SERPINA6 P08185 2/20 0.65
TSHR P16473 2/20 0.65
SNCA P37840 2/20 0.65
CACNA1C Q13936 2/20 0.65
CYP51A1 Q16850 2/20 0.65
GPBAR1 Q8TDU6 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
OR51E2 Q9H255 1/20 0.65

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
SCHEMBL25867504 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL2733158 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL4916351 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL10273612 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL6695330 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL24103268 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL8986762 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL24102492 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL7139746 1.00 SHBG (1.00) SHBGCYP3A4CYP19A1LMNAHSD17B10
SCHEMBL13298151 0.89 SHBG (0.80) SHBGCYP3A4CYP19A1LMNAHSD17B10

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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE USA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-20 US disclosed
US-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE USA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-20 US disclosed
WO-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME SHBG, CYP19A1, GNRHR SHBG 1/4885CYP3A4 2085/4885CYP19A1 2/4885

“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.