SCHEMBL1758262

SCHEMBL1758262

COc1cc(O)ccc1C(=O)c1ccc(O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CAPN1 P07384 2/20 0.58
PARP1 P09874 1/20 0.58
MAOA P21397 1/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
CTSL P07711 3/20 0.53
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 2/20 0.50

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
SCHEMBL11018832 0.89 MAOB (0.50) MAOBMEN1KMT2ACAPN1PARP1
SCHEMBL1758323 0.89 MAPT (0.68) MAOBMEN1KMT2ACAPN1PARP1
SCHEMBL27182876 0.87 CDC25B (0.61) MAOBMEN1KMT2ACAPN1PARP1
Isopeonol SCHEMBL1376231 0.86 MAOB (0.57) MAOBMEN1KMT2ACAPN1PARP1
Isopeonol SCHEMBL3713802 0.86 MAOB (0.57) MAOBMEN1KMT2ACAPN1PARP1
Isopeonol SCHEMBL29757918 0.86 MAOB (0.57) MAOBMEN1KMT2ACAPN1PARP1
SCHEMBL901018 0.86 ALDH1A1 (0.65) MAOBMEN1KMT2ACAPN1PARP1
SCHEMBL7939201 0.86 MAPT (0.64) MAOBMEN1KMT2ACAPN1PARP1
Methyl 4-Hydroxy-2-Methoxybenzoate SCHEMBL322895 0.84 CA12 (0.67) MAOBMEN1KMT2ACAPN1PARP1
SCHEMBL4115468 0.84 MAOB (0.55) MAOBMEN1KMT2ACAPN1PARP1

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
EP-1767090-B1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO (JP) 2015-08-12 EP disclosed
US-7943803-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2011-05-17 US disclosed
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD (JP) 2010-10-28 US disclosed
US-7737309-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2010-06-15 US disclosed
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation NIPPON SODA CO., LTD. (JP) 2007-12-06 US disclosed
EP-1767090-A1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO., LTD. (JP) 2007-03-28 EP disclosed
US-5128429-A Low temperature block polymerization without randomization RAYCHEM LIMITED (GB) 1992-07-07 US disclosed
EP-0154506-B1 PREPARATION OF ORGANIC POLYMERS RAYCHEM LIMITED (GB) 1992-02-05 EP disclosed
US-4960835-A ENGINEERING THERMOPLASTICS RAYCHEM LIMITED (GB) 1990-10-02 US disclosed
US-4845179-A CONDENSATION POLYMERIZATION RAYCHEM LIMITED (GB) 1989-07-04 US disclosed
EP-0154506-A2 Preparation of organic polymers RAYCHEM LIMITED (GB) 1985-09-11 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 (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-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC MAOB 3433/4885MEN1 1809/4885KMT2A 2547/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM MAOB 4114/4885MEN1 2729/4885KMT2A 2602/4885

“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.