SCHEMBL13345930

SCHEMBL13345930

O=C(O[C@@H]1C[C@@H]2CCO[C@@H]2C1)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MGLL Q99685 1/20 0.30

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
SCHEMBL8166563 1.00 CCNE1 (0.32) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL12757777 1.00 CCNE1 (0.32) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL12621033 0.81 CCNE1 (0.32) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL1803056 0.81 CCNE1 (0.32) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL16575072 0.81 CCNE1 (0.36) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL8129220 0.81 CCNE1 (0.36) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL7875278 0.81 CCNE1 (0.36) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL1128725 0.81 CCNE1 (0.36) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL2624001 0.81 CCNE1 (0.36) CCNE1CDK2GSK3BMEN1KMT2A
SCHEMBL12757780 0.80 CCNE1 (0.33) CCNE1CDK2GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 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-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 CCNE1 1568/4885CDK2 527/4885GSK3B 2625/4885

“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.