SCHEMBL3486370

SCHEMBL3486370

O=C1CCCCC1C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.65
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL13254535 1.00 CA1 (0.65) CA1ALDH1A1MAPTCYP1A2MEN1
SCHEMBL30960322 1.00 CA1 (0.65) CA1ALDH1A1MAPTCYP1A2MEN1
SCHEMBL13254536 0.83 CA1 (0.46) CA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3486566 0.83 CA1 (0.46) CA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14292075 0.81 CA1 (0.61) CA1ALDH1A1MAPTCYP1A2MEN1
SCHEMBL30735990 0.81 CA1 (0.61) CA1ALDH1A1MAPTCYP1A2MEN1
SCHEMBL29065866 0.79 CA1 (1.00) CA1ALDH1A1MAPTCYP1A2L3MBTL1
SCHEMBL16268173 0.79 ALDH1A1 (0.46) CA1ALDH1A1MAPTCYP1A2MEN1
SCHEMBL3486328 0.77 CA1 (0.51) CA1ALDH1A1MAPTL3MBTL1
SCHEMBL13254537 0.77 CA1 (0.51) CA1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559926-A Asymmetric Aldol reaction catalyst and preparation method and application thereof 北方民族大学 2021-10-29 CN disclosed
CN-107497485-B Water-phase asymmetric Aldol reaction catalyst and preparation method and application thereof 石家庄学院 2020-04-17 CN disclosed
CN-110627647-A High diastereoselectivity 2- (hydroxy (phenyl) methyl) cyclohexanone derivative and preparation method thereof 广东工业大学 2019-12-31 CN disclosed
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 US disclosed
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 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 (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-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 CA1 1253/4885ALDH1A1 12/4885MAPT 3451/4885

“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.