SCHEMBL2805201

SCHEMBL2805201

CCc1c(C(=O)O)cc(O)c2c(F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.42
THRB P10828 1/20 0.41
RORC P51449 6/20 0.39
ACMSD Q8TDX5 1/20 0.38
CDK2 P24941 2/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2810001 0.79 THRB (0.61) THRBPOLBGPR35MEN1ALDH1A1
SCHEMBL2805618 0.74 DHODH (0.43) ALBTHRBACMSDMEN1ALDH1A1
SCHEMBL4238085 0.73 ALB (0.55) ALBALDH1A1HPGDALOX15HSD17B10
SCHEMBL39598 0.71 SELL (0.42) THRBMEN1ALDH1A1LMNAMAPT
SCHEMBL27552392 0.69 ALB (0.44) ALBTHRBRORCACMSDCDK2
SCHEMBL15668658 0.69 AKR1C2 (0.44) THRBACMSDPOLBGPR35SMN1; SMN2
SCHEMBL10782332 0.68 HSD17B10 (0.40) THRBMEN1ALDH1A1LMNAMAPT
SCHEMBL1242279 0.68 ALDH1A1 (0.54) ALBALDH1A1LMNAHPGDALOX15
SCHEMBL8735952 0.67 THRB (0.34) THRBALDH1A1LMNAMAPTHPGD
SCHEMBL1355391 0.66 ALDH1A1 (0.52) ALBALDH1A1MAPTHPGDALOX15

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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALB 2991/4885THRB 717/4885RORC 4278/4885

“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.