SCHEMBL3860950

SCHEMBL3860950

NCCc1ccc2oc3c(CCC(=O)O)cccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALOX5 P09917 1/20 0.41
FFAR1 O14842 6/20 0.41
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL30320123 0.83 PARP1 (0.46) CYP2C19ALOX5FFAR1PARP1KDM4E
SCHEMBL198085 0.83 PARP1 (0.46) CYP2C19ALOX5FFAR1PARP1KDM4E
SCHEMBL3798516 0.80 ALOX5 (0.57) ALOX5FFAR1PARP1KDM4EMAPT
SCHEMBL3860960 0.80 ALOX5 (0.42) CYP2C19ALOX5FFAR1PARP1KDM4E
SCHEMBL13990693 0.78 PARP1 (0.51) ALOX5FFAR1PARP1MAPTHSD17B10
SCHEMBL1401562 0.77 PARP1 (0.46) CYP2C19ALOX5FFAR1PARP1MAPT
SCHEMBL27318901 0.74 KDM4E (0.60) ALOX5PARP1KDM4EMAPTHPGD
SCHEMBL23071738 0.73 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19ALOX5KDM4E
SCHEMBL20402334 0.72 ALOX5 (0.55) CYP1A2CYP2D6CYP2C19ALOX5KDM4E
SCHEMBL12412363 0.71 CYP1A2 (0.81) CYP1A2CYP2D6CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585839-B2 Cyclic and linear oligopeptides; capable of increasing gap junction conductance; lack the proarrhythmic side effects; use as drug to also treat eye disorders, cancer, and gastrointestinal disorders among others ZEALAND PHARMA A/S (DK) 2009-09-08 US disclosed
US-20070042964-A1 Compositions and methods for modulating connexin hemichannels WYETH (US) 2007-02-22 US disclosed
US-7153822-B2 Compositions and methods for modulating connexin hemichannels WYETH (US) 2006-12-26 US disclosed
US-20050113293-A1 Medical uses of intercellular communication facilitating compounds ZEALAND PHARMA A/S 2005-05-26 US disclosed
EP-1469875-A1 COMPOSITIONS AND METHODS FOR MODULATING CONNEXIN HEMICHANNELS Wyeth (US) 2004-10-27 EP disclosed
US-20040092429-A1 Compositions and methods for modulating connexin hemichannels ZEALAND PHARMA A/S 2004-05-13 US disclosed
EP-1370276-A2 MEDICAL USES OF INTERCELLULAR COMMUNICATION FACILITATING COMPOUNDS Zealand Pharma A/S (DK) 2003-12-17 EP disclosed
WO-2003063891-A1 COMPOSITIONS AND METHODS FOR MODULATING CONNEXIN HEMICHANNELS WYETH (US) 2003-08-07 WO disclosed
WO-2002077017-A2 MEDICAL USES OF INTERCELLULAR COMMUNICATION FACILITATING COMPOUNDS ZEALAND PHARMA A/S (DK) 2002-10-03 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 (3 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-20050113293-A1 Medical uses of intercellular communication facilitating compounds GJB2, GJA1, TNNI3 CYP1A2 4218/4885CYP2D6 2257/4885CYP2C19 2799/4885
US-20070042964-A1 Compositions and methods for modulating connexin hemichannels GJB2, GJA1, HCN4 CYP1A2 3316/4885CYP2D6 2453/4885CYP2C19 3754/4885
US-20040092429-A1 Compositions and methods for modulating connexin hemichannels GJB2, GJA1, HCN4 CYP1A2 3316/4885CYP2D6 2453/4885CYP2C19 3754/4885

“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.