SCHEMBL1110052

SCHEMBL1110052

CC1(C)CCC(O)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26088608 0.74
SCHEMBL13625216 0.74
SCHEMBL20878803 0.72 GAA (0.33)
SCHEMBL24339643 0.72 CYP3A4 (0.32) CYP3A4MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28115986 0.71
SCHEMBL19262269 0.70
SCHEMBL14386923 0.70 CYP3A4 (0.34) CYP3A4MEN1ALDH1A1KMT2ALMNA
SCHEMBL15565744 0.70 CYP3A4 (0.34) CYP3A4MEN1ALDH1A1KMT2ALMNA
SCHEMBL1110049 0.68
SCHEMBL17416132 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233868-A1 COMPOSITION FOR PRODUCTION OF GINSENOSIDE COMPOUND K COMPRISING HIGH TEMPERATURE alpha-L-ARABINOFURANOSIDASE, AND METHOD FOR PREPARING GINSENDOSIDE COMPOUND K AMOREPACIFIC CORP (KR) 2019-08-01 US disclosed
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 CYP3A4 607/4885MEN1 1761/4885ALDH1A1 3245/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CYP3A4 138/4885MEN1 373/4885ALDH1A1 1986/4885
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME DDT, CCDC22, MLN CYP3A4 2992/4885MEN1 4108/4885ALDH1A1 4541/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 CYP3A4 255/4885MEN1 208/4885ALDH1A1 2698/4885

“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.