SCHEMBL21405873

SCHEMBL21405873

C[C@@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 4/20 0.65
▸ SHBG P04278 4/20 0.65
▸ SLC22A1 O15245 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ AR P10275 5/20 0.58
▸ PGR P06401 3/20 0.55
▸ CYP19A1 P11511 7/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ NR3C1 P04150 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SNCA P37840 2/20 0.45
▸ CACNA1C Q13936 2/20 0.45
▸ CYP51A1 Q16850 2/20 0.45

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
SCHEMBL24102420 1.00 SERPINA6 (0.65) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL24102505 1.00 SERPINA6 (0.65) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL3452660 1.00 SERPINA6 (0.65) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL24102619 1.00 SERPINA6 (0.65) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL6241504 0.89 SERPINA6 (0.67) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL25863907 0.88 PGR (0.54) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL25863839 0.88 PGR (0.54) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL25863497 0.88 PGR (0.54) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL25863928 0.88 PGR (0.54) SERPINA6SHBGSLC22A1ALDH1A1THRB
SCHEMBL5501842 0.87 SERPINA6 (0.64) SERPINA6SHBGSLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238310-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2024-07-18 — — 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
EP-4164743-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) 2023-04-19 — — EP disclosed
CN-115711948-A Method for detecting testosterone and isomers thereof 中科润生康泰(苏州)医学检验实验室有限公司 2023-02-24 — — CN 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
US-20210283144-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2021-09-16 — — US disclosed
US-20190298646-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS INITIUM INNOVATIONS, INC. 2019-10-03 — — 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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME SHBG, CYP19A1, GNRHR SERPINA6 55/4885SHBG 1/4885SLC22A1 4683/4885

“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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