SCHEMBL7070071

SCHEMBL7070071

C[C@]12CCCCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 1.00
ESR1 P03372 2/20 0.70
AR P10275 2/20 0.70
ESR2 Q92731 2/20 0.70
SHBG P04278 2/20 0.70
SERPINA6 P08185 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL5311348 1.00 CYP19A1 (1.00) CYP19A1ESR1ARESR2SHBG
SCHEMBL5697554 1.00 CYP19A1 (1.00) CYP19A1ESR1ARESR2SHBG
SCHEMBL5499393 0.87 CYP19A1 (0.77) CYP19A1ESR1ARESR2SHBG
SCHEMBL9938719 0.85 CYP19A1 (0.74) CYP19A1ESR1ARESR2SHBG
SCHEMBL4448213 0.85 CYP19A1 (0.74) CYP19A1ESR1ARESR2SHBG
SCHEMBL5479309 0.85 CYP19A1 (0.74) CYP19A1ESR1ARESR2SHBG
SCHEMBL5574098 0.84 CYP19A1 (0.73) CYP19A1ESR1ARESR2SHBG
SCHEMBL5493314 0.84 CYP19A1 (0.73) CYP19A1ESR1ARESR2SHBG
SCHEMBL1418753 0.84 CYP19A1 (0.73) CYP19A1ESR1ARESR2SHBG
SCHEMBL10405002 0.84 CYP19A1 (0.72) CYP19A1ESR1ARESR2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232797-A1 Novel derivatives of androstane and androstene with ascorbic acid and use thereof in treating or preventing various conditions, diseases, and disorders FORBES MEDI-TECH INC. 2003-12-18 US disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 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-20030232797-A1 Novel derivatives of androstane and androstene with ascorbic acid and use thereof in treating or preventing various conditions, diseases, and disorders HSD17B11, CYP17A1, CYP27B1 CYP19A1 17/4885ESR1 126/4885AR 36/4885

“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.