SCHEMBL9680486

SCHEMBL9680486

CC(C)(C(=O)c1ccc2c(c1)Sc1ccccc1S2)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BCHE P06276 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10887887 0.96 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL10884968 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL9681241 0.87 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL10717258 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL19268226 0.86 BCHE (0.40) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL9681283 0.86 MAPK1 (0.58) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL10886205 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL10885245 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1TSHRBCHE
SCHEMBL10885448 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3
SCHEMBL52410 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPK1TSHRHRH3

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-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
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — 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 3469/4885MAPK1 3744/4885

“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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