SCHEMBL4089144

SCHEMBL4089144

OCCCCCCCCCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC1 Q13547 1/20 0.47
KCNH3 Q9ULD8 3/20 0.45
PRSS1 P07477 5/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
EPHX2 P34913 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 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
SCHEMBL11118330 0.92 CDK1 (0.53) CDK1ALDH1A1HDAC1EPHX2MEN1
SCHEMBL19958225 0.91 CDK1 (0.43) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL19958223 0.91 CDK1 (0.43) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL19958224 0.91 CDK1 (0.43) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL19958222 0.91 CDK1 (0.43) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL19958226 0.91 CDK1 (0.43) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL19958221 0.89 CDK1 (0.44) CDK1ALDH1A1HDAC1KCNH3PRSS1
SCHEMBL17604064 0.84 CDK1 (0.61) CDK1EPHX2MEN1LMNAHTT
SCHEMBL2784124 0.84 ALDH1A1 (0.64) ALDH1A1KCNH3PRSS1F2PRSS2
SCHEMBL19959726 0.83 CDK1 (0.45) CDK1ALDH1A1HDAC1EPHX2MEN1

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-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 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-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 CDK1 3199/4885ALDH1A1 3874/4885HDAC1 4029/4885

“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.