SCHEMBL7110493

SCHEMBL7110493

CCCCCCCCCCC(=O)OC1CC[C@H]2[C@H]3[C@H]([C@@H](C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 1.00
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ CYP19A1 P11511 6/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL25863260 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL7111536 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863256 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863258 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL12355412 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL2249046 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL4589523 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863521 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863642 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863523 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A

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-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate THE GOVERNMENT OF THE UNITED STATES OF AMERICA, 2003-04-10 — — 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-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, CYP19A1, SHBG AR 197/4885LMNA 1173/4885MAPT 3964/4885

“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.

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