SCHEMBL280234

SCHEMBL280234

CC(C)(Br)C(=O)NCCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS1 P23219 1/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX1 P07099 1/20 0.41
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL14052421 0.94 PTGS1 (0.47) TDP1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL4496590 0.85 CNR1 (0.42) TDP1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL5542570 0.83 TDP1 (0.55) TDP1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL649228 0.82 POLB (0.39) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31098887 0.82 EPHX1 (0.63) MEN1KMT2AEPHX1NAAA
SCHEMBL11922844 0.81 TDP1 (0.58) TDP1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL22351756 0.81 EPHX1 (0.52) POLBSMN1; SMN2ALDH1A1EPHX1
SCHEMBL2138113 0.80 DNM1 (0.46) POLBALDH1A1MEN1KMT2ACA14
SCHEMBL2747680 0.79 TDP1 (0.52) TDP1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL19183222 0.79 ADRA1A (0.58) POLBSMN1; SMN2MEN1KMT2AMAPK1

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-9765169-B2 Functionalized polymer hybrids CARNEGIE MELLON UNIVERSITY (US) 2017-09-19 US disclosed
US-20120016082-A1 CONJUGATION REACTIONS BIOCOMPATIBLES UK LIMITED (GB) 2012-01-19 US disclosed
US-8053520-B2 Conjugation reactions BIOCOMPATIBLES UK LIMITED (GB) 2011-11-08 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-20120016082-A1 CONJUGATION REACTIONS PHPT1, GNE, MGMT TDP1 2747/4885POLB 284/4885SMN1; SMN2 3385/4885

“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.