SCHEMBL7652946

SCHEMBL7652946

OCCOCc1cncc(COCCO)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LOX P28300 2/20 0.35
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 2/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TACR1 P25103 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL24343309 0.96 MEN1 (0.44) TSHRMAPK1MEN1KMT2ALOX
SCHEMBL29469530 0.76 HSD11B1 (0.47) ALDH1A1
SCHEMBL146442 0.76 HSD11B1 (0.47) ALDH1A1
SCHEMBL7105173 0.76 TSHR (0.39) TSHRMAPK1MEN1KMT2ALOX
SCHEMBL20485056 0.76 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7656067 0.75 TACR1 (0.36) KMT2ATACR1
SCHEMBL13736313 0.74 LOXL2 (0.39) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL13602773 0.74 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7654006 0.74 CA1 (0.30)
SCHEMBL7654404 0.72 CA1 (0.40) TSHRMAPK1KMT2AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 US disclosed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 TSHR 708/4885MAPK1 754/4885MEN1 2690/4885

“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.