SCHEMBL4393587

SCHEMBL4393587

CC(CO)NCC(=O)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
EGLN2 Q96KS0 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
PARP1 P09874 1/20 0.42
DPP4 P27487 2/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
CTNNB1 P35222 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
FASN P49327 1/20 0.38
P4HB P07237 1/20 0.38
FAAH O00519 1/20 0.38
P2RX1 P51575 1/20 0.38

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
SCHEMBL4403096 0.84 CA12 (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4398285 0.84 ERCC5 (0.51) ALDH1A1PARP1DPP4ADRB2ADRB1
SCHEMBL4398994 0.81 KDM4E (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4398281 0.81 PTPN1 (0.51) KDM4EALDH1A1DPP4GAAMAPT
SCHEMBL29757148 0.77 KDM4E (0.55) KDM4EALDH1A1EGLN2CA12CA1
SCHEMBL1274658 0.77 KDM4E (0.55) KDM4EALDH1A1EGLN2CA12CA1
SCHEMBL4391321 0.76 HPGD (0.50) DPP4POLB
Hydrochloric Acid SCHEMBL4734485 0.76 KDM4E (0.53) KDM4EALDH1A1EGLN2CA12CA1
Hydrochloric Acid SCHEMBL31491126 0.76 KDM4E (0.53) KDM4EALDH1A1EGLN2CA12CA1
SCHEMBL4397425 0.75 DPP4 (0.41) DPP4MAPTNPC1RAB9A

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-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 KDM4E 4330/4885ALDH1A1 2023/4885EGLN2 437/4885

“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.