SCHEMBL19778993

SCHEMBL19778993

CCCCCCC(C)(CCCCC)c1cnccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.39
CNR1 P21554 7/20 0.39
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL19916803 0.94 CNR2 (0.38) CNR2CNR1TDP1L3MBTL1LMNA
SCHEMBL19309210 0.87 CNR2 (0.45) CNR2CNR1TDP1L3MBTL1LMNA
SCHEMBL18467307 0.87 CNR2 (0.45) CNR2CNR1TDP1L3MBTL1LMNA
SCHEMBL22215328 0.79 SIRT3 (0.36) TDP1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL19185523 0.76 TDP1 (0.34) CNR2CNR1TDP1L3MBTL1CYP1A2
SCHEMBL22623974 0.75 TDP1 (0.38) CNR2CNR1TDP1L3MBTL1CYP3A4
SCHEMBL19687627 0.74 SSTR4 (0.37) CNR2CNR1
SCHEMBL24871939 0.74 CNR2 (0.40) CNR2CNR1TDP1L3MBTL1LMNA
SCHEMBL19223950 0.74 CNR2 (0.40) CNR2CNR1TDP1L3MBTL1LMNA
SCHEMBL24475344 0.74 CNR2 (0.40) CNR2CNR1TDP1L3MBTL1LMNA

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-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 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-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CNR2 3830/4885CNR1 3401/4885TDP1 1090/4885

“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.