SCHEMBL5754979

SCHEMBL5754979

c1cc(N2CCOCC2)nnc1N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.61
CNR2 P34972 11/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 5/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11981452 0.88 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL5755910 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL5084510 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL210065 0.88 CYP1A2 (0.67) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL31310689 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL31047535 0.88 MEN1 (0.54) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL807738 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL106639 0.88 MEN1 (0.54) ALDH1A1SMN1; SMN2HTTCNR2MEN1
SCHEMBL21423998 0.88 BPTF (0.62) ALDH1A1SMN1; SMN2HTTCNR2MEN1
Hydrochloric Acid SCHEMBL5755527 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTCNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP claimed
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed
US-6676932-B2 CONTAINING PYRIDAZINE DERIVATIVE SUNSCREEN AGENT SHISEIDO CO., LTD. (JP) 2004-01-13 US disclosed
US-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SHISEIDO CO., LTD. (JP) 2003-10-23 US disclosed
EP-1266651-A2 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO COMPANY LIMITED (JP) 2002-12-18 EP 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-20030198608-A1 Ultraviolet absorbent, photostabilizer, ultraviolet ray-absorbing composition, photostabilized composition and external prepraration for skin SUN2, UPF1, RRM1 ALDH1A1 2169/4885SMN1; SMN2 2115/4885HTT 1378/4885

“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.