SCHEMBL15941304

SCHEMBL15941304

O=Cc1ccccc1OCCCCO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 2/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 3/20 0.58
PTGS2 P35354 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAD52 P43351 1/20 0.45
RECQL P46063 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA9 Q16790 3/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7358847 0.98 ALDH1A1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL9247222 0.97 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL7363630 0.92 ALDH1A1 (0.70) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL7401225 0.88 ALDH1A1 (0.64) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL17361315 0.87 ALDH1A1 (0.67) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL2762555 0.84 PTGS2 (0.48) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL8372730 0.84 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL2763243 0.83 PTGS2 (0.47) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL2763284 0.83 PTGS2 (0.46) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL13305834 0.82 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
EP-2953627-A1 NSAIDs DERIVATIVES AND USES THEREOF The Research Foundation of the City University of New York (US) 2015-12-16 EP disclosed
WO-2014124208-A1 NSAIDs DERIVATIVES AND USES THEREOF THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-14 WO 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 (2 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-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 ALDH1A1 383/4885HPGD 20/4885HTT 1313/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 ALDH1A1 383/4885HPGD 20/4885HTT 1313/4885

“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.