SCHEMBL16397828

SCHEMBL16397828

Fc1ccc(C2C=CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
KDM1A O60341 2/20 0.39
RECQL P46063 2/20 0.38
ALOX15 P16050 1/20 0.38
ESR2 Q92731 1/20 0.38
SLC6A2 P23975 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2B P41595 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16397825 1.00 ATM (0.41) ATMKDM1ARECQLALOX15ESR2
SCHEMBL20561325 0.88 ATM (0.42) ATMKDM1ARECQLALOX15ESR2
SCHEMBL18312895 0.88 ATM (0.42) ATMKDM1ARECQLALOX15ESR2
SCHEMBL23672525 0.79 KDM1A (0.43) ATMKDM1ARECQLSLC6A2HTR2A
SCHEMBL6755897 0.78 ESR2 (0.42) KDM1ARECQLALOX15ESR2MEN1
SCHEMBL16398624 0.78 ALOX15 (0.38) ATMRECQLALOX15ESR2SLC6A2
SCHEMBL10400348 0.78 ALOX15 (0.38) RECQLALOX15ESR2TDP1MEN1
SCHEMBL16398622 0.78 ALOX15 (0.38) ATMRECQLALOX15ESR2SLC6A2
SCHEMBL20561348 0.77 CYP2C19 (0.41) KDM1ARECQLALOX15ESR2SLC6A2
SCHEMBL1199949 0.77 CYP2C19 (0.41) KDM1ARECQLALOX15ESR2SLC6A2

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 ATM 1719/4885KDM1A 2668/4885RECQL 2287/4885

“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.