SCHEMBL15908322

SCHEMBL15908322

BrCCC=C1c2ccccc2Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP1A2 P05177 4/20 0.50
RET P07949 3/20 0.50
CYP2C19 P33261 2/20 0.50
CHRM1 P11229 8/20 0.49
SLC6A2 P23975 6/20 0.49
HRH1 P35367 6/20 0.49
HTR2B P41595 6/20 0.49
LMNA P02545 5/20 0.49
KCNH2 Q12809 5/20 0.49
CHRM2 P08172 4/20 0.49
ADRA2A P08913 4/20 0.49
CYP2D6 P10635 4/20 0.49
DRD2 P14416 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
CHRM3 P20309 4/20 0.49
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
SLC6A4 P31645 4/20 0.49

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
SCHEMBL653565 0.89 CYP3A4 (0.63) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL2878604 0.87 BCHE (0.44) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL2858563 0.87 BCHE (0.44) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL7815467 0.81 CYP1A2 (0.41) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL15908345 0.81 CHRM1 (0.49) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL652162 0.80 HTR2B (0.68) CYP1A2CHRM1SLC6A2HRH1HTR2B
SCHEMBL652161 0.80 HTR2B (0.68) CYP1A2CHRM1SLC6A2HRH1HTR2B
SCHEMBL13051513 0.80 HTR2B (0.68) CYP1A2CHRM1SLC6A2HRH1HTR2B
SCHEMBL6970125 0.79 ALDH1A1 (0.71) CYP3A4CYP1A2RETCYP2C19CHRM1
SCHEMBL655611 0.79 ALDH1A1 (0.71) CYP3A4CYP1A2RETCYP2C19CHRM1

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-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 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 (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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 CYP3A4 1910/4885CYP1A2 2436/4885RET 2318/4885

“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.