SCHEMBL9681099

SCHEMBL9681099

CC(C)(C(=O)c1ccc2oc3ccccc3c2c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ BCAT1 P54687 5/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ PRKDC P78527 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10458497 0.94 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL9680462 0.92 NPC1 (0.57) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL10942167 0.92 NPC1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL10943728 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL10944254 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL10943469 0.81 NPC1 (0.55) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A
SCHEMBL10943981 0.81 NPC1 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL10456874 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL29625805 0.79 KDM4E (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL2961648 0.79 KDM4E (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240755-A1 POLYCYCLIC PHOTOINITIATORS IGM GROUP B.V. (NL) 2017-08-24 — — US disclosed
US-20170240755-A1 POLYCYCLIC PHOTOINITIATORS IGM GROUP B.V. (NL) 2017-08-24 — — US disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — 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-20170240755-A1 POLYCYCLIC PHOTOINITIATORS C1R, C9, C5 SMN1; SMN2 4741/4885ALDH1A1 3469/4885TSHR 175/4885

“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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