SCHEMBL16398264

SCHEMBL16398264

Cc1ccccc1[C@@H]1C=CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
PBRM1 Q86U86 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM1A O60341 2/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL16398268 1.00 HTR2C (0.44) HTR2CDDB1CRBNHTR2AHTR2B
SCHEMBL20561574 0.89 HTR2C (0.42) HTR2CDDB1CRBNHTR2AHTR2B
SCHEMBL20561573 0.89 HTR2C (0.42) HTR2CDDB1CRBNHTR2AHTR2B
SCHEMBL10399467 0.76 CYP3A4 (0.35) HTR2A
SCHEMBL8625311 0.76 MEN1 (0.42) HTR2CHTR2AHTR2BTSHR
SCHEMBL13953886 0.76 KDM1A (0.42) HTR2CHTR2BTNKS2KDM1ASLC6A2
SCHEMBL16755274 0.76 ALDH1A1 (0.42) HTR2CHTR2AHTR2BKDM1ASLC6A2
SCHEMBL511920 0.76 DPP4 (0.42) HTR2CHTR2AHTR2BPBRM1TNKS2
SCHEMBL17747344 0.76 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL16398448 0.76 HTR2C (0.53) 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 5 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
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 1658/4885DDB1 818/4885CRBN 3809/4885

“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.