SCHEMBL4809705

SCHEMBL4809705

CC(=O)N1c2ccccc2CCc2ccc(C(=O)O)cc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.57
HSD17B3 P37058 7/20 0.51
NOTUM Q6P988 3/20 0.49
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4806681 0.90 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL6504852 0.84 KDM4E (0.55) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL11548268 0.84 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL31182095 0.84 KDM4E (0.67) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL23875654 0.81 HSD17B3 (0.68) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL11108730 0.81 HSD17B3 (0.66) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL30982111 0.81 HSD17B3 (0.68) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL19224983 0.81 HSD17B3 (0.66) KDM4EL3MBTL1ALDH1A1POLBHSD17B3
SCHEMBL4796682 0.80 HSD17B3 (0.78) ALDH1A1HSD17B3NOTUMSRD5A1SRD5A2
SCHEMBL11114425 0.78 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1POLBHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465721-B2 2-hydroxytetrahydrofuran derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-16 US disclosed
US-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US disclosed
US-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-07-27 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 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-20060166893-A1 Novel 2-hydroxytetrahydrofurane derivatives and use thereof as medicaments CAPN2, CAPN1, CAPNS1 KDM4E 1615/4885L3MBTL1 4370/4885ALDH1A1 1525/4885
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 KDM4E 3637/4885L3MBTL1 2499/4885ALDH1A1 3435/4885

“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.