SCHEMBL2881111

SCHEMBL2881111

CC(C)(C)[Si](C)(C)OCCc1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PYCR1 P32322 1/20 0.38
PDPK1 O15530 1/20 0.36
NAAA Q02083 1/20 0.35
KDM1A O60341 1/20 0.34
AKR1B1 P15121 2/20 0.33
MTNR1B P49286 1/20 0.33
TBXA2R P21731 2/20 0.33
MAPT P10636 1/20 0.33
BMP1 P13497 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
SCHEMBL22070791 0.88 APLNR (0.39) APLNRMAPT
SCHEMBL1364662 0.85 APLNR (0.43) APLNRNPC1RAB9APYCR1NAAA
SCHEMBL29771585 0.85 APLNR (0.43) APLNRNPC1RAB9APYCR1NAAA
SCHEMBL22233480 0.83 S1PR4 (0.36) APLNRKDM1A
SCHEMBL3865025 0.82 DUT (0.37) APLNR
SCHEMBL22234089 0.81 PYCR1 (0.41) PYCR1MAPT
SCHEMBL2881359 0.80 CYP4F2 (0.35)
SCHEMBL3649317 0.79 APLNR (0.34) APLNR
SCHEMBL31573468 0.79 P2RX7 (0.34) APLNR
SCHEMBL29781197 0.79 DUT (0.32) APLNR

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R APLNR 1318/4885NPC1 3941/4885RAB9A 4085/4885

“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.