SCHEMBL4600810

SCHEMBL4600810

CC(C)(C)C(C(=O)O)n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18258606 0.70 HSD17B10 (0.42) HSD17B10NPSR1MAPTRAB9A
SCHEMBL735831 0.70 HSD17B10 (0.42) HSD17B10NPSR1MAPTRAB9A
SCHEMBL14248374 0.70 RAB9A (0.39) HSD17B10NPSR1MAPTRAB9APOLB
SCHEMBL14247750 0.70 RAB9A (0.39) HSD17B10NPSR1MAPTRAB9APOLB
SCHEMBL18258607 0.70 RAB9A (0.39) HSD17B10NPSR1MAPTRAB9APOLB
SCHEMBL30925036 0.70 PPARG (0.33)
SCHEMBL30925034 0.70 PPARG (0.33)
SCHEMBL16389012 0.69
SCHEMBL498341 0.67 HSD17B10 (0.43) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL7936004 0.65 HSD17B10 (0.42) HSD17B10NPSR1POLBSMN1; SMN2TDP1

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 HSD17B10 2626/4885NPSR1 167/4885MAPT 4060/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 HSD17B10 2626/4885NPSR1 167/4885MAPT 4060/4885

“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.