SCHEMBL16342111

SCHEMBL16342111

C#CCN(C)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 1/20 0.49
MAPT P10636 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
RAB9A P51151 2/20 0.44

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
SCHEMBL15180119 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL25597534 0.80 PYCR1 (0.45) ALDH1A1HPGDMAPTCA1CA2
SCHEMBL16795554 0.78 MAOB (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL8372731 0.77 TSHR (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL29265674 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL25815393 0.76 NOTUM (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL14157091 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL64502 0.75 ALDH1A1 (0.72) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL6011752 0.75 NOTUM (0.61) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL24218583 0.74 KDM4E (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2HPGD

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-8779008-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2014-07-15 US disclosed
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2013-08-01 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-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 ALDH1A1 4414/4885KDM4E 4278/4885TSHR 3168/4885

“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.