SCHEMBL2600419

SCHEMBL2600419

C[C@]12CCC(=O)C=C1C(=O)CC1C2CC[C@]2(C)C(=O)CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 1.00
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
SHBG P04278 2/20 0.64
SERPINA6 P08185 2/20 0.64
MAPK1 P28482 2/20 0.64
HSD17B3 P37058 2/20 0.64
SNCA P37840 2/20 0.64
BLM P54132 2/20 0.64
PMP22 Q01453 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
SRD5A1 P18405 1/20 0.60
SRD5A2 P31213 1/20 0.60

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
SCHEMBL42713 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL42712 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3275185 0.87 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7097095 0.87 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL6821320 0.87 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL349057 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL349056 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10187417 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7649810 0.86 CYP19A1 (0.75) CYP19A1
SCHEMBL10528769 0.84 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 CYP19A1 130/4885ALDH1A1 530/4885LMNA 4340/4885

“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.