SCHEMBL3304555

SCHEMBL3304555

COc1cc(Br)ccc1[C@@H](C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALPL P05186 1/20 0.33
LPAR1 Q92633 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 3/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3304559 1.00 APLNR (0.39) APLNRSMN1; SMN2TSHRGLAKDM4E
SCHEMBL13331049 0.83 APLNR (0.41) APLNR
SCHEMBL3307294 0.81 ENPP2 (0.31)
SCHEMBL3307296 0.81 ENPP2 (0.31)
SCHEMBL13331887 0.79 APLNR (0.33) APLNR
SCHEMBL16744698 0.76 HTR2A (0.37) SMN1; SMN2KDM4EALPL
SCHEMBL26008821 0.76 CYP2C19 (0.34) APLNRALDH1A1
SCHEMBL3866228 0.75 APLNR (0.34) APLNRKDM4EALDH1A1
SCHEMBL29843138 0.74 PYCR1 (0.43) SMN1; SMN2TSHRGLAKDM4ETDP1
SCHEMBL1430163 0.74 PYCR1 (0.43) SMN1; SMN2TSHRGLAKDM4ETDP1

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-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
EP-2102176-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 APLNR 2522/4885SMN1; SMN2 4228/4885TSHR 528/4885

“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.