SCHEMBL6414914

SCHEMBL6414914

COC(=O)c1ccc2ccc(C)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.65
TDP1 Q9NUW8 1/20 0.62
LCK P06239 1/20 0.54
PTPN11 Q06124 1/20 0.53
CYP1A2 P05177 1/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 1/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
NPC1 O15118 2/20 0.48

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
SCHEMBL3210145 0.94 TDP1 (0.64) CYP2A6TDP1LCKPTPN11CYP1A2
SCHEMBL709231 0.90 LCK (0.62) TDP1LCKPTPN11CA12CA1
SCHEMBL9979782 0.84 PTPN11 (0.64) TDP1LCKPTPN11CA12CA1
SCHEMBL29365729 0.84 PTPN11 (0.68) TDP1LCKPTPN11CA12CA1
SCHEMBL69025 0.84 PTPN11 (0.68) TDP1LCKPTPN11CA12CA1
SCHEMBL3018277 0.83 KDM4E (0.59) TDP1LCKPTPN11CA12CA1
SCHEMBL3566353 0.83 CYP2A6 (0.61) CYP2A6TDP1LCKPTPN11CA12
SCHEMBL811009 0.83 PTPN11 (0.58) TDP1LCKPTPN11CA12CA1
SCHEMBL20718475 0.83 LCK (0.60) CYP2A6TDP1LCKPTPN11CA12
SCHEMBL15704203 0.82 CYP2A6 (0.61) CYP2A6TDP1PTPN11CYP1A2CA12

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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US disclosed
WO-2004111003-A1 AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A CYP2A6 93/4885TDP1 2153/4885LCK 4423/4885

“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.