SCHEMBL5739072

SCHEMBL5739072

CCOC(=O)C1(Cc2ccc(OCCc3ccc(Br)cc3)cc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
ALDH1A1 P00352 8/20 0.47
FPR2 P25090 2/20 0.47
PROKR1 Q8TCW9 2/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
P4HB P07237 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4716099 0.88 FPR2 (0.55) KMT2AALDH1A1FPR2PROKR1POLB
SCHEMBL6311243 0.87 ALDH1A1 (0.56) KMT2AALDH1A1POLBLMNANPSR1
SCHEMBL28840734 0.85 FPR2 (0.55) KMT2AALDH1A1FPR2PROKR1POLB
SCHEMBL2761098 0.83 FPR2 (0.57) KMT2AALDH1A1FPR2PROKR1POLB
SCHEMBL15537227 0.80 HRH2 (0.44) KMT2AALDH1A1FPR2PROKR1POLB
SCHEMBL9876055 0.78 KMT2A (0.59) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL6627953 0.76 ALDH1A1 (0.70) KMT2AALDH1A1POLBLMNANPSR1
SCHEMBL6311126 0.76 POLB (0.54) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL1980907 0.75 HRH2 (0.46) KMT2AALDH1A1FPR2PROKR1LMNA
SCHEMBL3718479 0.75 KDM4E (0.64) KMT2AALDH1A1POLBLMNAMEN1

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
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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 (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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD KMT2A 2478/4885ALDH1A1 177/4885FPR2 809/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD KMT2A 2478/4885ALDH1A1 177/4885FPR2 809/4885

“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.