SCHEMBL16009054

SCHEMBL16009054

OC1=C2C=Cc3ccccc3C2C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL9062195 0.72 HTR2A (0.36) HTR2ACYP2D6MEN1KMT2AGAA
SCHEMBL6228424 0.69 KMT2A (0.36) HTR2ACYP2D6MEN1KMT2AKDM4E
SCHEMBL27460809 0.69 HTR2A (0.40) HTR2ACYP2D6MEN1KMT2AKDM4E
SCHEMBL4762075 0.68 ALDH1A1 (0.39) HTR2ACYP2D6MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7208791 0.67
SCHEMBL29386036 0.67 HTR2A (0.39) HTR2ACYP2D6MEN1KMT2AKDM4E
SCHEMBL19630560 0.67 HTR2A (0.39) HTR2ACYP2D6MEN1KMT2AKDM4E
SCHEMBL1028466 0.67 HTR2A (0.39) HTR2ACYP2D6KDM4ELMNATP53
Ammonia Solution, Strong SCHEMBL21245914 0.65 HTR2A (0.38) HTR2ACYP2D6KDM4ELMNATP53
Methane SCHEMBL28813011 0.65 HTR2A (0.38) HTR2ACYP2D6KDM4ELMNATP53

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
US-10130096-B2 Method for protecting useful plants or plant propagation material SYNGENTA PARTICIPATIONS AG (CH) 2018-11-20 US disclosed
EP-3400230-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST SABIC Global Technologies B.V. (NL) 2018-11-14 EP disclosed
WO-2017118617-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-13 WO disclosed
US-20140259230-A1 METHOD FOR PROTECTING USEFUL PLANTS OR PLANT PROPAGATION MATERIAL SYNGENTA PARTICIPATIONS AG (CH) 2014-09-11 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-10130096-B2 Method for protecting useful plants or plant propagation material DPM1, CAT, ERG28 HTR2A 4452/4885CYP2D6 646/4885MEN1 149/4885
US-20140259230-A1 METHOD FOR PROTECTING USEFUL PLANTS OR PLANT PROPAGATION MATERIAL DPM1, CAT, ERG28 HTR2A 4452/4885CYP2D6 646/4885MEN1 149/4885

“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.