SCHEMBL1109959

SCHEMBL1109959

CCCCC1CCCC(O)(CCCC)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
LTB4R Q15722 6/20 0.38
HSD17B3 P37058 4/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
LTB4R2 Q9NPC1 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL28312982 0.80 CYP1A2 (0.52) CYP1A2LMNAMAPK1HTTTDP1
SCHEMBL28134719 0.79 LTB4R (0.40) LTB4RHSD17B3LTB4R2OPRM1OPRD1
SCHEMBL983172 0.79 CYP1A2 (0.50) CYP1A2LMNAMAPK1HTTTDP1
SCHEMBL1109958 0.77 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTTDP1
SCHEMBL21134762 0.77 LTB4R (0.33) LTB4RHSD17B3
SCHEMBL11563297 0.76 LTB4R (0.42) CYP1A2LTB4RHSD17B3LTB4R2OPRM1
SCHEMBL28848693 0.74 CYP1A2 (0.42) CYP1A2TDP1MAPT
Urea SCHEMBL1836708 0.74 CYP1A2 (0.42) CYP1A2LTB4RLMNAMAPK1HTT
SCHEMBL27929968 0.73 CYP1A2 (0.52) CYP1A2LMNAMAPK1HTTTDP1
SCHEMBL4443864 0.72 OPRM1 (0.43) LTB4RHSD17B3OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9648879-B2 Co-crystal and method for producing same NIPPON SODA CO., LTD. (JP) 2017-05-16 US disclosed
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2016-09-29 US disclosed
EP-3069610-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2016-09-21 EP disclosed
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8772200-B2 Nitrogen-containing heterocyclic compound and agricultural fungicide NIPPON SODA CO., LTD. (JP) 2014-07-08 US disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 US disclosed
EP-2522658-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE Nippon Soda Co., Ltd. (JP) 2012-11-14 EP disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 EP disclosed
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 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 (4 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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CYP1A2 195/4885LTB4R 1149/4885HSD17B3 955/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CYP1A2 58/4885LTB4R 1727/4885HSD17B3 90/4885
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME DDT, CCDC22, MLN CYP1A2 1833/4885LTB4R 4185/4885HSD17B3 1849/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 CYP1A2 70/4885LTB4R 1993/4885HSD17B3 468/4885

“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.