SCHEMBL301683

SCHEMBL301683

O=C(O)C1C2C3CCC(C3)C12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
PMP22 Q01453 1/20 0.40
TFPI2 P48307 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KMT2A Q03164 2/20 0.38
GRM1 Q13255 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GRM2 Q14416 5/20 0.35

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
SCHEMBL23453801 1.00 LMNA (0.40) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL23453854 1.00 LMNA (0.40) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL3983026 1.00 LMNA (0.40) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL24425352 0.84 POLB (0.39) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL14653071 0.84 POLB (0.39) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL7531898 0.84 POLB (0.44) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL23698034 0.82 LMNA (0.52) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL187221 0.82 LMNA (0.52) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL3045980 0.82 LMNA (0.52) LMNAPOLBTDP1APEX1KDM4E
SCHEMBL14433686 0.82 LMNA (0.52) LMNAPOLBTDP1APEX1KDM4E

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
WO-2021113365-A1 NANOMATERIALS GUIDE THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
WO-1993004070-A1 SUBSTITUTED ACRYLAMIDO-PENICILLANIC ACID DERIVATIVES SMITHKLINE BEECHAM, PLC (GB) 1993-03-04 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 (3 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 LMNA 3018/4885POLB 1861/4885TDP1 1180/4885
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 LMNA 741/4885POLB 4177/4885TDP1 2502/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH LMNA 3978/4885POLB 1390/4885TDP1 1332/4885

“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.