SCHEMBL22664844

SCHEMBL22664844

CCCCCCC(CC)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CSNK1E P49674 1/20 0.34
ICMT O60725 2/20 0.33
GRM2 Q14416 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL21423075 0.93 MEN1 (0.41) NR1I2MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL22639542 0.85 TAS1R3 (0.36) SMN1; SMN2KCNH2
SCHEMBL18671786 0.83 NR1I2 (0.36) NR1I2MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL18671760 0.83 NR1I2 (0.36) NR1I2MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL8487906 0.81 KCNH2 (0.36) NR1I2MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL24351028 0.81 NR1I2 (0.42) NR1I2MEN1KMT2ASMN1; SMN2PRSS1
SCHEMBL21725468 0.81 NR1I2 (0.42) NR1I2MEN1KMT2ASMN1; SMN2PRSS1
SCHEMBL18866561 0.80 CES2 (0.38) SMN1; SMN2
SCHEMBL26326734 0.80 CSNK1E (0.41) MEN1KMT2ASMN1; SMN2KCNH2CSNK1E
SCHEMBL23564615 0.80 MEN1 (0.40) MEN1KMT2ASMN1; SMN2KCNH2CSNK1E

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-20200361925-A1 INHIBITORS OF BETA-HYDROXYLASE FOR TREATMENT OF CANCER RHODE ISLAND HOSPITAL (US) 2020-11-19 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-20200361925-A1 INHIBITORS OF BETA-HYDROXYLASE FOR TREATMENT OF CANCER ASPH, CYP46A1, ALDH7A1 NR1I2 172/4885MEN1 4462/4885KMT2A 949/4885

“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.