SCHEMBL5066595

SCHEMBL5066595

COCOc1ccc(-n2c(C)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
LMNA P02545 2/20 0.36
S1PR2 O95136 1/20 0.36
XBP1 P17861 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MITF O75030 2/20 0.36
HKDC1 Q2TB90 2/20 0.36

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
SCHEMBL5068232 0.84 KDM4E (0.36) POLBALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL14319941 0.83 POLB (0.41) AKR1C3AKR1C2POLBCCR2ALDH1A1
SCHEMBL20846497 0.73 KDM4E (0.63) AKR1C3AKR1C2ALDH1A1KDM4ETDP1
SCHEMBL23832437 0.73 CYP2A6 (0.43) MAPTHTTKDM4ELMNATDP1
SCHEMBL30199419 0.73 CYP2A6 (0.43) MAPTHTTKDM4ELMNATDP1
SCHEMBL4925604 0.72 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL812098 0.71 MAOB (0.44) ALDH1A1HPGDMEN1KMT2A
SCHEMBL16720902 0.71 AKR1C3 (0.48) AKR1C3AKR1C2POLBALDH1A1MAPT
SCHEMBL30439601 0.70 CYP2A6 (0.45) MAPTHTTKDM4ELMNATDP1
SCHEMBL23832432 0.70 CYP2A6 (0.45) MAPTHTTKDM4ELMNATDP1

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-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP disclosed
US-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents WYETH (US) 2007-10-25 US disclosed
US-7250440-B2 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2007-07-31 US disclosed
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents WYETH (US) 2005-03-17 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 (2 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-20070249703-A1 (Hydroxyphenyl)-1H-Indole-3-Carbaldehyde Oxime Derivatives As Estrogenic Agents ESR1, ESR2, GPER1 AKR1C3 295/4885AKR1C2 418/4885POLB 4557/4885
US-20050059723-A1 (Hydroxyphenyl)-1H-indole-3-carbaldehyde oxime derivatives as estrogenic agents ESR1, ESR2, GPER1 AKR1C3 295/4885AKR1C2 418/4885POLB 4557/4885

“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.