SCHEMBL2886215

SCHEMBL2886215

COc1ccc(C2=CC(=O)OC2(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
BACE1 P56817 2/20 0.43
EDNRA P25101 4/20 0.43
EDNRB P24530 1/20 0.43
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5321421 0.83 KDM4E (0.51) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL18530074 0.81 NOTUM (0.35) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL4651083 0.80 SMN1; SMN2 (0.40) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL286520 0.67 HPGD (0.55) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL18595420 0.67 BACE1 (0.46) HPGDKDM4EALDH1A1TDP1MAPT
SCHEMBL1937681 0.66 EDNRA (0.54) EDNRAEDNRB
SCHEMBL18529189 0.65 HCAR2 (0.38) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL30320677 0.64 ME2 (0.57) ALDH1A1MAPTMEN1KMT2ABACE1
SCHEMBL356853 0.64 HPGD (0.42) HPGDKDM4EALDH1A1HTTTDP1
SCHEMBL28697530 0.63 BACE1 (0.60) HPGDKDM4EALDH1A1HTTTDP1

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 HPGD 573/4885KDM4E 4024/4885ALDH1A1 1934/4885

“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.