SCHEMBL4877935

SCHEMBL4877935

CC(CO)NCC(O)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.67
HIF1A Q16665 4/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HTR1A P08908 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NMUR2 Q9GZQ4 1/20 0.59
CYP2C9 P11712 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
CYP3A4 P08684 4/20 0.56
MAPK1 P28482 4/20 0.56
ADRB1 P08588 3/20 0.56
ADRB3 P13945 3/20 0.56
TSHR P16473 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ADORA3 P0DMS8 2/20 0.56

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
SCHEMBL12186444 0.86 ADRB2 (0.50) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL19329750 0.86 ADRB2 (0.67) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186437 0.86 ADRB2 (0.50) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186453 0.84 ADRB3 (0.49) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186441 0.84 ADRB3 (0.49) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186451 0.84 ADRB2 (0.49) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186435 0.84 ADRB2 (0.49) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL12186577 0.84 KDM4E (0.57) ADRB2KDM4EADRB1ADRB3LMNA
SCHEMBL12186584 0.84 KDM4E (0.57) ADRB2KDM4EADRB1ADRB3LMNA
Deterenol SCHEMBL31419987 0.83 ADRB2 (0.67) ADRB2HIF1AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US claimed
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 ADRB2 131/4885HIF1A 1202/4885ALDH1A1 3960/4885

“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.