SCHEMBL3260045

SCHEMBL3260045

CN(C)c1ccccc1NC(CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KCNQ2 O43526 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.38
MME P08473 1/20 0.38
PPARG P37231 2/20 0.37
FABP4 P15090 1/20 0.36
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL7561830 0.79 RAB9A (0.47) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL679864 0.79 RAB9A (0.47) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL12984801 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKCNQ2LMNAHTT
SCHEMBL2235687 0.76 PPARG (0.46) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL2235683 0.76 PPARG (0.46) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL3276898 0.76 HDAC1 (0.46) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL27623107 0.76 HTT (0.45) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL5281064 0.75 KMT2A (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL10787156 0.74 MME (0.39) ALDH1A1MAPTLMNAPKMHTT
SCHEMBL27926695 0.74 ITGAV (0.47) ALDH1A1MAPTLMNAPKMHTT

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
US-7794795-B2 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-09-14 US disclosed
US-20080026027-A1 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-01-31 US disclosed
US-7244295-B2 Dendrimeric organochalcogeno derivative bound to sol gel matrix; inexpensive, environmentally friendly, robust coating; nontoxic; reduced maintenance THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-07-17 US disclosed
US-20050013843-A1 Dendrimeric organochalcogeno derivative bound to sol gel matrix; inexpensive, environmentally friendly, robust coating; nontoxic; reduced maintenance RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2005-01-20 US disclosed
WO-2004063292-A2 ANTI-FOULING SOL-GEL COATINGS CONTAINING DENDRIMERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEWYORK (US) 2004-07-29 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-20080026027-A1 Antifouling coating comprising sol gel of an octyltrialkoxysilane and a tetraalkoxysilane MACO1, SDC2, DSTN ALDH1A1 3575/4885MAPT 4536/4885KCNQ2 1283/4885

“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.