SCHEMBL16489114

SCHEMBL16489114

CCN(CC)c1ccc2c(c1)OC1=CC(N(CC)CC)C=CC1=C2c1ccccc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 2/20 0.33

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
SCHEMBL11957692 0.92 MAOB (0.38) CA12CA9MAPTSMN1; SMN2NPC1
SCHEMBL12093970 0.91 ALDH1A1 (0.36) CA12CA9MAPTSMN1; SMN2NPC1
SCHEMBL3267635 0.90 MEN1 (0.41) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL12118354 0.89 MAPT (0.35) CA12CA9MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5539689 0.88 TSHR (0.38) CA12CA9MAPTSMN1; SMN2NPC1
SCHEMBL14039656 0.87 ALDH1A1 (0.35) CA12CA9MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5547769 0.87 SCN1A (0.36) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL18760512 0.86 RAB9A (0.36) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL18888028 0.86 SCN1A (0.31) APLNR
SCHEMBL12130884 0.83 APLNR (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-9289508-B2 Environmentally sensitive compositions and methods of use in the treatment and diagnosis of tumors UNIVERSITY OF RHODE ISLAND (US) 2016-03-22 — — US disclosed
US-20150051153-A1 Environmentally Sensitive Compositions UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2015-02-19 — — 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-20150051153-A1 Environmentally Sensitive Compositions PHLPP1, PHLPP2, FABP2 CA12 1175/4885CA9 1028/4885MAPT 3026/4885

“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.

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