SCHEMBL16403663

SCHEMBL16403663

COC(=CC(=O)C=C(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A3 Q01959 1/20 0.44
SRC P12931 1/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.42
CES1 P23141 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1536367 0.88 TSHR (0.59) TSHRF2LMNASLC6A3SRC
SCHEMBL1536368 0.88 TSHR (0.59) TSHRF2LMNASLC6A3SRC
SCHEMBL3189100 0.88 TSHR (0.59) TSHRF2LMNASLC6A3SRC
SCHEMBL1137903 0.86 TSHR (0.57) TSHRF2LMNASLC6A3SRC
SCHEMBL14852715 0.86 TSHR (0.57) TSHRF2LMNARAB9AMAPT
SCHEMBL7073576 0.84 TSHR (0.55) TSHRF2LMNASLC6A3SRC
SCHEMBL15880803 0.84 TSHR (0.55) TSHRF2LMNASLC6A3SRC
SCHEMBL12442631 0.81 TSHR (0.52) TSHRF2LMNASLC6A3SRC
SCHEMBL13148534 0.81 TSHR (0.52) TSHRF2LMNASLC6A3SRC
SCHEMBL1695604 0.81 TSHR (0.52) TSHRF2LMNASLC6A3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004120-B1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION UNIV NANYANG TECH (SG) 2018-08-29 EP disclosed
US-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-19 US disclosed
EP-3004120-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION Nanyang Technological University (SG) 2016-04-13 EP disclosed
WO-2014196930-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-12-11 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 (1 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-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION SBK1, SIK1, PDPK1 TSHR 3374/4885F2 3644/4885LMNA 4765/4885

“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.