SCHEMBL7201013

SCHEMBL7201013

O=Cc1c(O)ccc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ERN1 O75460 8/20 0.43
ALOX5 P09917 1/20 0.42
AOC3 Q16853 1/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
MTNR1A P48039 1/20 0.34
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2210040 0.85 AOC3 (0.51) ERN1AOC3ALDH1A1HSD17B10MAPK1
SCHEMBL19737869 0.78 ERN1 (0.48) ERN1ALOX5MTNR1ASIGMAR1
SCHEMBL19738035 0.78 ERN1 (0.44) ERN1DRD2DRD1HTR2ADRD3
SCHEMBL6936698 0.78 ERN1 (0.42) KDM4EERN1AOC3RAB9A
SCHEMBL17397871 0.77 KDM4E (0.40) KDM4EERN1AOC3HTTALDH1A1
SCHEMBL28581319 0.77 KDM4E (0.40) KDM4EERN1RAB9AKMT2A
SCHEMBL12023077 0.75 ALOX5 (0.47) KDM4EERN1ALOX5AOC3HTT
SCHEMBL10600616 0.75 ERN1 (0.42) ERN1ALOX5ALDH1A1RAB9AMAPT
SCHEMBL15676221 0.74 MAOA (0.45) KDM4EERN1MAPTGAA
SCHEMBL21262188 0.73 ERN1 (0.44) KDM4EERN1HTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 US disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 WO disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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 (3 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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 KDM4E 1603/4885ERN1 2834/4885ALOX5 737/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 KDM4E 1603/4885ERN1 2834/4885ALOX5 737/4885
US-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 KDM4E 2431/4885ERN1 3046/4885ALOX5 567/4885

“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.