SCHEMBL6926907

SCHEMBL6926907

COC(OC)c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17864869 0.82 ESR1 (0.40) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL9515383 0.79 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL29558024 0.79 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL29557654 0.79 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL19143514 0.77 ALDH1A1 (0.41) ALDH1A1TDP1ADRA2BPTGS1CYP3A4
SCHEMBL6258936 0.75 MAPT (0.48) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL28368759 0.74 CYP2D6 (0.42) ALDH1A1CYP3A4CA1CA2ACHE
SCHEMBL451129 0.73 ESR1 (0.34) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL1918798 0.73 CA1 (0.57) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL3206497 0.73 ESR1 (0.56) ALDH1A1TDP1ADRA2BCYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations SEMIOSBIO TECHNOLOGIES INC. (CA) 2021-09-14 US disclosed
EP-2704569-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS Semiosbio Technologies Inc. (CA) 2014-03-12 EP disclosed
WO-2012129702-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS SEMIOSBIO TECHNOLOGIES INC. (CA) 2012-10-04 WO disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 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-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations DDT, AOC1, EGLN1 ALDH1A1 250/4885TDP1 4247/4885ADRA2B 2361/4885

“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.