SCHEMBL16398448

SCHEMBL16398448

COc1ccccc1[C@@H]1C=CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
DRD2 P14416 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17747344 1.00 HTR2C (0.53) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL1050248 0.90 HTR2C (0.50) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL18312709 0.90 HTR2C (0.50) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL17747330 0.88 HTR2C (0.49) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL28078288 0.88 HTR2C (0.49) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL16398156 0.87 HTR2C (0.47) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL28078255 0.87 HTR2C (0.47) HTR2CDRD2MEN1KMT2AHTR2A
SCHEMBL16398479 0.81 HTR2A (0.47) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL16398477 0.81 HTR2A (0.47) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL2570274 0.80 HTR2C (0.48) HTR2CHTR2AHTR2B

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 6 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
CN-105658656-A 1, 1' -spiroindane-7, 7-bisphosphine oxides as highly active supporting ligands in palladium-catalyzed asymmetric Heck reactions 南洋理工大学 2016-06-08 CN 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
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 HTR2C 1658/4885DRD2 1852/4885MEN1 2704/4885

“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.