SCHEMBL3784364

SCHEMBL3784364

CCN(CC)C(=O)c1ccc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9039965 0.85 TSHR (0.53) HPGDALDH1A1TSHRKDM4E
SCHEMBL27037027 0.84 NAMPT (0.39) HPGDALDH1A1TSHRKDM4ENPC1
SCHEMBL9039345 0.81 ALOX5 (0.42) TSHRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30468208 0.80 PKM (0.48)
SCHEMBL30468286 0.80 PKM (0.48)
SCHEMBL7100949 0.79 TSHR (0.49) TSHRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL827023 0.78 CYP1A2 (0.46) TSHRKDM4E
SCHEMBL9037903 0.77 TSHR (0.51) TSHRKDM4ETDP1
SCHEMBL1232943 0.76 TSHR (0.39) TSHRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16164002 0.75 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382225-B1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GEN ELECTRIC (US) 2013-08-28 EP disclosed
US-7858598-B2 Reagents for detection of hypochlorous acid MORNINGSIDE VENTURES LIMITED & VERSITECH LIMITED (CN) 2010-12-28 US disclosed
WO-2010074957-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-07-01 WO disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 US disclosed
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2010-06-24 US disclosed
US-7705040-B2 compositions which specifically react with peroxynitrite rather than other reactive oxygen species and reactive nitrogen species; for measuring peroxynitrite in a sample; high-throughput screening fluorescent methods for detecting peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2010-04-27 US disclosed
US-20080274560-A1 REAGENTS FOR DETECTION OF HYPOCHLOROUS ACID VERSITECH LIMITED (CN) 2008-11-06 US disclosed
US-20070082403-A1 Reagents for highly specific detection of peroxynitrite VERSITECH LIMITED (HK) 2007-04-12 US disclosed
US-20070082403-A1 Reagents for highly specific detection of peroxynitrite VERSITECH LIMITED (HK) 2007-04-12 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 (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-20080274560-A1 REAGENTS FOR DETECTION OF HYPOCHLOROUS ACID HAO2, HAO1, HMOX1 HPGD 517/4885ALDH1A1 661/4885TSHR 2998/4885
US-20100156278-A1 ORGANIC METAL COMPLEXES FOR USE IN OPTOELECTRONIC DEVICES SCO2, C1S, C1R HPGD 2025/4885ALDH1A1 3036/4885TSHR 748/4885

“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.