SCHEMBL10696858

SCHEMBL10696858

CC1OCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.44
HTR2A P28223 6/20 0.44
HTR2B P41595 6/20 0.44
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAP3K14 Q99558 1/20 0.35
SRD5A1 P18405 4/20 0.35
SRD5A2 P31213 2/20 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
SCHEMBL18995114 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19827961 0.79 HTR2C (0.40) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19827955 0.79 HTR2C (0.40) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19829908 0.79 HTR2C (0.40) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19829910 0.79 HTR2C (0.40) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL30743773 0.78 SLC6A2 (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL15896884 0.78 SLC6A2 (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL13616555 0.78 SLC6A2 (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL5097822 0.77 MAP3K14 (0.42) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL31394732 0.77 ADRA2A (0.40) HTR2CHTR2AHTR2BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200296966-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2020-09-24 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 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 (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-20200296966-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 HTR2C 4476/4885HTR2A 4571/4885HTR2B 1860/4885

“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.