SCHEMBL921903

SCHEMBL921903

Cc1ccccc1COc1ccc[c]c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
MCL1 Q07820 1/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SGMS2 Q8NHU3 2/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PKM P14618 1/20 0.39
SLC1A5 Q15758 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
PSEN1 P49768 2/20 0.38

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
SCHEMBL919555 0.84 IDO1 (0.51) MCL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL920526 0.84 MCL1 (0.56) MCL1HTR1AMAOBALDH1A1PKM
SCHEMBL920301 0.81 HPGD (0.48) MCL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL921446 0.78 PLAU (0.48) MCL1SGMS2MAOBALDH1A1PKM
SCHEMBL3521430 0.77 CDK4 (0.60) CDK4CCND1HTR1AADRA1DADRA1A
SCHEMBL3211927 0.77 MAPT (0.50) CDK4CCND1HTR1AADRA1DADRA1A
SCHEMBL920040 0.76 KMT2A (0.44) HTR1AADRA1DADRA1AADRA1BMAOB
Bromide SCHEMBL27650271 0.76 CDK4 (0.58) CDK4CCND1HTR1AADRA1DADRA1A
SCHEMBL920514 0.75 SMN1; SMN2 (0.44) HTR1AALDH1A1LMNAGLARAB9A
SCHEMBL160177 0.74 L3MBTL1 (0.46) ALDH1A1MAPTTDP1GLAMAPK1

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CDK4 4097/4885CCND1 4265/4885MCL1 4826/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CDK4 1369/4885CCND1 725/4885MCL1 4656/4885

“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.