SCHEMBL3884897

SCHEMBL3884897

CCOC(=O)CCc1ccc(OC2CCCCC2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
PDE4B Q07343 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
P2RX3 P56373 4/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3888753 0.99 THRA (0.48) THRATHRBCYP4F2CYP4A11HDAC1
SCHEMBL3689787 0.88 THRA (0.52) THRATHRBHDAC1HDAC2HRH3
SCHEMBL3684021 0.87 HDAC1 (0.52) THRATHRBHDAC1HDAC2HRH3
SCHEMBL3884608 0.83 THRA (0.50) THRATHRBCYP4F2CYP4A11HRH3
SCHEMBL3887540 0.81 HRH3 (0.44) CYP4F2CYP4A11HDAC1HDAC2HRH3
SCHEMBL3684450 0.81 THRA (0.58) THRATHRBHDAC1HDAC2ALDH1A1
SCHEMBL4450867 0.80 CYP4F2 (0.55) CYP4F2CYP4A11HDAC1ALDH1A1KDM4E
SCHEMBL3887008 0.79 HRH3 (0.44) CYP4F2CYP4A11HDAC1HDAC2HRH3
SCHEMBL2349110 0.77 THRA (0.46) THRATHRBHDAC1HDAC2PDE4B
SCHEMBL21190896 0.77 THRA (0.49) THRATHRBPDE4BALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 THRA 1720/4885THRB 3187/4885CYP4F2 2961/4885

“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.