SCHEMBL16645293

SCHEMBL16645293

C=C1CCCC/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(N)=O)CC[C@@H]12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
VDR P11473 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ADORA3 P0DMS8 3/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
PGR P06401 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
CDC25A P30304 1/20 0.63
HSPD1 P10809 1/20 0.63
HPGD P15428 1/20 0.63
TBXA2R P21731 1/20 0.63
PTGS1 P23219 1/20 0.63
GLRA1 P23415 1/20 0.63
DRD3 P35462 1/20 0.63
HSPE1 P61604 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL24813610 0.89 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL19988240 0.89 VDR (0.60) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL1140730 0.88 VDR (0.67) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL1140731 0.88 VDR (0.67) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL11977559 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL21128778 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL25753376 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL21264751 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL12372105 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; SMN2
SCHEMBL25753325 0.88 MAPT (0.80) MAPTVDRMEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160144049-A1 CARRIERS FOR IMPROVED DRUG DELIVERY EXTEND BIOSCIENCES, INC. (US) 2016-05-26 US disclosed
US-9289507-B2 Carriers for improved drug delivery EXTEND BIOSCIENCES, INC. (US) 2016-03-22 US disclosed
US-20150104469-A1 CARRIERS FOR IMPROVED DRUG DELIVERY EXTEND BIOSCIENCES, INC. (US) 2015-04-16 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 (2 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-20150104469-A1 CARRIERS FOR IMPROVED DRUG DELIVERY GC, VDR, CYP24A1 MAPT 1180/4885VDR 2/4885MEN1 2425/4885
US-20160144049-A1 CARRIERS FOR IMPROVED DRUG DELIVERY GC, VDR, CYP24A1 MAPT 1180/4885VDR 2/4885MEN1 2425/4885

“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.