SCHEMBL4600805

SCHEMBL4600805

CC(C)(C)n1cccc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
PTGS1 P23219 5/20 0.49
AKR1B1 P15121 4/20 0.38
POLB P06746 2/20 0.37
NSD2 O96028 1/20 0.37
GRK2 P25098 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CYP2C19 P33261 3/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 2/20 0.35
CXCL8 P10145 1/20 0.34
GLO1 Q04760 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL867896 0.75 ALDH1A1 (0.53) PTGS2PTGS1POLBCYP2C19CYP1A2
SCHEMBL28872464 0.72
SCHEMBL11352735 0.72 PTGS2 (0.46) PTGS2PTGS1AKR1B1POLBNSD2
SCHEMBL15222998 0.71 RIPK1 (0.39) POLBCYP2C19MEN1KMT2ACYP2C9
SCHEMBL3520677 0.71 POLB (0.46) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL21654318 0.69
SCHEMBL11366434 0.69 PTGS1 (0.44) PTGS2PTGS1AKR1B1POLBNSD2
SCHEMBL1722529 0.68 PTGS2 (0.46) PTGS2PTGS1AKR1B1POLBNSD2
SCHEMBL11358391 0.68 PTGS2 (0.43) PTGS2PTGS1AKR1B1POLBNSD2
SCHEMBL13539048 0.67 BAZ2B (0.35) POLBMEN1KMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 EP disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 US disclosed
US-6958349-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators CARSON JOHN R (US) 2005-07-21 US disclosed
US-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-09-30 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-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 PTGS2 158/4885PTGS1 161/4885AKR1B1 387/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 PTGS2 158/4885PTGS1 161/4885AKR1B1 387/4885

“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.