SCHEMBL5567608

SCHEMBL5567608

COc1cc(C)c(C(C)Cc2ccccc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
F2 P00734 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
SLC18A2 Q05940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2C19 P33261 2/20 0.40
HTR2A P28223 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11812440 0.84 F2 (0.44) KMT2AMEN1MAPTRAB9AF2
SCHEMBL1494089 0.80 HTR2A (0.44) KMT2AMEN1RAB9ACYP2C19HTR2A
SCHEMBL1494045 0.79 ALDH1A1 (0.45) KMT2AMEN1MAPTRAB9ATAAR1
SCHEMBL17833744 0.77 CHRNA7 (0.47) KMT2AMEN1MAPTRAB9A
SCHEMBL5525796 0.77 HTR2A (0.41) RAB9ACYP2C19HTR2ACYP2D6
SCHEMBL1494085 0.77 KDM4E (0.48) MAPTRAB9ACYP2C19CYP1A2
SCHEMBL15252729 0.77 KDM4E (0.46) KMT2AMEN1MAPTRAB9ACYP2C19
SCHEMBL5525811 0.76 TAS1R3 (0.40) KMT2AMEN1MAPTRAB9AF2
SCHEMBL6255859 0.75 CYP2C19 (0.49) RAB9ACYP2C19HTR2ACYP2D6
SCHEMBL6546729 0.75 SIGMAR1 (0.44) KMT2AMEN1TAAR1SLC18A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC. 2012-05-17 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-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX6 KMT2A 3688/4885MEN1 4461/4885MAPT 4820/4885

“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.