SCHEMBL15978294

SCHEMBL15978294

CC1(C)[C@@H](Br)CC[C@]2(C)c3ccccc3CC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
NR1H2 P55055 8/20 0.46
NR1H3 Q13133 8/20 0.46
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL806506 1.00 SRD5A1 (0.49) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL15978289 0.90 SRD5A1 (0.44) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL15978419 0.82 CYP3A4 (0.43) NR1H2NR1H3
SCHEMBL15978295 0.81 SRD5A1 (0.46) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL806508 0.81 SRD5A1 (0.46) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL15978303 0.81 SRD5A1 (0.46) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL806727 0.81 SRD5A1 (0.46) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL15978308 0.79 POLA1 (0.63) NR1H2NR1H3LMNA
SCHEMBL3096973 0.77 SRD5A1 (0.55) SRD5A1NR1H2NR1H3LMNATDP1
SCHEMBL14456321 0.77 SRD5A1 (0.55) SRD5A1NR1H2NR1H3LMNATDP1

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM SRD5A1 2114/4885NR1H2 1557/4885NR1H3 807/4885

“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.