SCHEMBL51896

SCHEMBL51896

CC1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@]1(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.34

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
SCHEMBL3282951 1.00 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL12083837 1.00 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL13390115 0.85 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12083740 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283341 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12084046 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283595 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3284289 0.82 CYP3A4 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3284285 0.82 CYP3A4 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12083899 0.82 CYP3A4 (0.37) SMYD2CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG SMYD2 2419/4885CYP3A4 319/4885HTT 4616/4885

“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.