SCHEMBL2812827

SCHEMBL2812827

COC(=O)/C(=C/Sc1ccc(F)cc1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL2812830 1.00 ALDH1A1 (0.39) ALDH1A1CYP1A2KDM4EHPGDALOX15
SCHEMBL2809809 0.90 TDP1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL2809812 0.90 TDP1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL2807218 0.86 ALOX15 (0.40) ALDH1A1CYP1A2KDM4EHPGDALOX15
SCHEMBL2807222 0.86 ALOX15 (0.40) ALDH1A1CYP1A2KDM4EHPGDALOX15
SCHEMBL2808889 0.82 FAAH (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2808888 0.82 FAAH (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2815262 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2815259 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL12851390 0.75 NPC1 (0.39) ALDH1A1CYP1A2KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 ALDH1A1 405/4885CYP1A2 77/4885KDM4E 3990/4885

“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.