SCHEMBL12704285

SCHEMBL12704285

O=C(CN1C=CCC=C1)OCCCO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL10720317 0.75 SERPINE1 (0.31) SMN1; SMN2POLB
SCHEMBL6681554 0.66 GAA (0.43) ALDH1A1MEN1KMT2A
SCHEMBL1816515 0.66 ADRA2A (0.48) —
SCHEMBL821525 0.66 — —
SCHEMBL5570446 0.66 GSK3A (0.59) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3504167 0.64 DGKA (0.43) —
SCHEMBL749774 0.64 DGKA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2353637 0.64 DGKA (0.48) ALDH1A1SMN1; SMN2POLB
SCHEMBL22360077 0.63 CYP1A2 (0.43) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL15728324 0.63 NAAA (0.34) —

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-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 — — US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 — — 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-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT DHFR, COASY, QDPR ALDH1A1 892/4885SMN1; SMN2 4836/4885MEN1 4417/4885

“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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