SCHEMBL1758320

SCHEMBL1758320

O=C(c1ccc(O)cc1)c1ccc(O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
SRD5A2 P31213 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL1758305 0.92 HSD17B1 (0.59) HSD17B1HSD17B2MAPK1HTTLMNA
SCHEMBL8050245 0.86 HSD17B1 (0.64) HSD17B1HSD17B2LMNAMAPTESR2
SCHEMBL4743809 0.86 SRD5A2 (0.71) HSD17B1HSD17B2MAPK1HTTLMNA
SCHEMBL8903151 0.85 HSD17B1 (0.54) HSD17B1HSD17B2MAPK1HTTLMNA
SCHEMBL3468297 0.85 HSD17B1 (0.54) HSD17B1HSD17B2MAPK1HTTLMNA
SCHEMBL10352926 0.83 HSD17B1 (0.79) HSD17B1HSD17B2HSP90AA1HSP90AB1MEN1
Paraben SCHEMBL27501871 0.82 CA2 (0.61) HTTLMNAMAPTSRD5A2POLB
SCHEMBL11017504 0.82 HSD17B1 (0.51) HSD17B1HSD17B2MAPK1HTTLMNA
SCHEMBL5476111 0.81 MAPT (0.68) MAPK1HTTLMNAMAPTESR1
SCHEMBL11269211 0.79 ALDH1A1 (0.58) HSD17B1HSD17B2MAPK1HTTLMNA

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 6 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

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 HSD17B1 3498/4885HSD17B2 3283/4885MAPK1 2625/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM HSD17B1 2569/4885HSD17B2 2132/4885MAPK1 4188/4885

“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.