SCHEMBL6790486

SCHEMBL6790486

CCCOc1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
HTR2A P28223 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6740315 0.87 L3MBTL1 (0.50) HTR2BL3MBTL1TDP1MEN1MAPT
SCHEMBL5961831 0.84 HTR2C (0.50) HTR2CHTR2BHTR2AL3MBTL1TDP1
SCHEMBL1539296 0.83 L3MBTL1 (0.53) L3MBTL1TDP1HTTKDM4EALDH1A1
SCHEMBL13069271 0.82 FFAR1 (0.47) HTR2CHTR2BHTR2AL3MBTL1TDP1
SCHEMBL764961 0.82 MAPT (0.46) L3MBTL1TDP1HTTKDM4EMEN1
SCHEMBL9633209 0.82 HTR2C (0.52) HTR2CHTR2BHTR2AL3MBTL1TDP1
SCHEMBL3070242 0.82 KDM4E (0.54) HTR2CHTR2AL3MBTL1TDP1KDM4E
SCHEMBL18688122 0.81 L3MBTL1 (0.54) HTR2CHTR2BHTR2AL3MBTL1TDP1
SCHEMBL19602414 0.81 CSNK2A1 (0.44) HTR2CHTR2BHTR2AL3MBTL1HTT
SCHEMBL18688617 0.81 PDE4D (0.50) HTR2CHTR2BHTR2AL3MBTL1TDP1

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
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (3 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 HTR2C 4300/4885HTR2B 3825/4885HTR2A 3945/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 HTR2C 3950/4885HTR2B 3219/4885HTR2A 3487/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 HTR2C 4288/4885HTR2B 3756/4885HTR2A 3908/4885

“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.