SCHEMBL7557797

SCHEMBL7557797

CC#CC(CCCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL3839930 1.00 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5331990 0.98 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5599848 0.98 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10010696 0.85 CHRM1 (0.46) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1713102 0.81 FFAR4 (0.46) GPR84FFAR1PPARDFFAR4
SCHEMBL10011524 0.81 SLC1A2 (0.37) SLC1A2
SCHEMBL1712183 0.80 FOLH1 (0.39) GPR84FFAR1PPARDFFAR4
SCHEMBL10010150 0.79 SLC1A2 (0.36) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6539103 0.79 MAPT (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10012340 0.78 SLC1A2 (0.38) SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1845901-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-11 CN claimed
CN-100522947-C CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-08-05 CN disclosed
CN-101023062-A Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA NV (BE) 2007-08-22 CN disclosed
CN-1845901-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-11 CN disclosed
CN-1678587-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2005-10-05 CN disclosed
US-RE37670-E1 Antiproliferative and neurotrophic molecules AMERICAN BIOGENETICS INC. 2002-04-23 US disclosed
US-20020013367-A1 Antiproliferative and neurotrophic molecules NAU HEINZ (DE) 2002-01-31 US disclosed
US-6300373-B1 CONTACTING NEURONAL CELLS WITH A NEUROTROPHIC AMOUNT CARBOXYLIC ACID DERIVATIVE FOR PROVIDING NEUROTROPHIC ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. 2001-10-09 US disclosed
US-6274624-B1 COMPOUNDS SUCH AS 2-N-PENTYL-4-PENTYNOIC ACID AS ANTIMITOTIC AGENTS AMERICAN BIOGENETIC SCIENCES INC. 2001-08-14 US disclosed
EP-0778820-B1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES (US) 2001-05-02 EP disclosed
US-5672746-A UNSATURATED ALKYL CARBOXYLIC ACIDS(AND THEIR SALTS) FOR TREATMENT OR PREVENTION OF NERVOUS SYSTEM DISORDERS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-09-30 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 (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-20020013367-A1 Antiproliferative and neurotrophic molecules BDNF, NGF, NTRK2 GPR84 2604/4885FFAR1 1051/4885MAPT 830/4885

“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.