SCHEMBL16147809

SCHEMBL16147809

Nc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.46
NFE2L2 Q16236 1/20 0.44
DHFR P00374 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FURIN P09958 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PARP10 Q53GL7 1/20 0.34
SLC18A3 Q16572 1/20 0.34
MAPK1 P28482 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL14852899 1.00 TNK2 (0.46) TNK2NFE2L2DHFRMEN1KMT2A
SCHEMBL3500438 0.91 TNK2 (0.44) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL15093765 0.82 MEN1 (0.43) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL5535757 0.82 TNK2 (0.40) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL674989 0.82 TNK2 (0.40) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL222919 0.82 MEN1 (0.43) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL8080838 0.82 TNK2 (0.40) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL813805 0.82 NPC1 (0.46) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL12269239 0.82 TNK2 (0.40) TNK2DHFRMEN1KMT2AHSD11B1
SCHEMBL8434147 0.82 TNK2 (0.40) TNK2DHFRMEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
EP-2981530-B1 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2020-02-12 EP disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20160068542-A1 Enhanced Osteogenic Activity of Daidzein Analogs on Human Mesenchymal Stem Cells THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2016-03-10 US disclosed
EP-2981530-A2 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS The Administrators of the Tulane Educational Fund (US) 2016-02-10 EP disclosed
WO-2014165723-A2 ENHANCED OSTEOGENIC ACTIVITY OF DAIDZEIN ANALOGS ON HUMAN MESENCHYMAL STEM CELLS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-09 WO 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-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 TNK2 2604/4885NFE2L2 136/4885DHFR 1091/4885
US-20160068542-A1 Enhanced Osteogenic Activity of Daidzein Analogs on Human Mesenchymal Stem Cells HPGDS, CXCL12, ALPG TNK2 315/4885NFE2L2 63/4885DHFR 3994/4885

“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.