SCHEMBL17754471

SCHEMBL17754471

Fc1ccc([C@@H]2C=CCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
KDM1A O60341 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 4/20 0.30
CYP19A1 P11511 1/20 0.30
LIG1 P18858 1/20 0.30

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
SCHEMBL7100928 1.00 ATM (0.39) ATMKDM1ATDP1SLC6A2HTR2A
SCHEMBL17747364 0.79 ALDH1A1 (0.34) TDP1HTR2AHTR2CHTR2BMAPT
SCHEMBL17747362 0.79 ALDH1A1 (0.34) TDP1HTR2AHTR2CHTR2BMAPT
SCHEMBL17754467 0.79 CHRNA7 (0.36) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL6397463 0.79 CHRNA7 (0.36) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL17754468 0.79 HTR2C (0.41) KDM1AHTR2CGAAMAPTMEN1
SCHEMBL17754470 0.78 TSHR (0.44) KDM1ASLC6A2HTR2CHTR2BSLC6A3
SCHEMBL17747348 0.76 ALDH1A1 (0.41) TDP1
SCHEMBL17747346 0.76 ALDH1A1 (0.41) TDP1
SCHEMBL17754466 0.75 MAOA (0.43) KDM1ASLC6A2HTR2CSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 2668/4885TDP1 2173/4885

“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.