SCHEMBL2810001

SCHEMBL2810001

CCc1c(C(=O)O)cc(O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
MCL1 Q07820 2/20 0.50
NSD2 O96028 1/20 0.50
GPR35 Q9HC97 2/20 0.45
HSD17B10 Q99714 4/20 0.44
CYP2C9 P11712 2/20 0.44
HMGB1 P09429 2/20 0.44
CXCL12 P48061 1/20 0.44
HPGD P15428 4/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 1/20 0.43
ATIC P31939 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL2805618 0.81 DHODH (0.43) THRBKDM4EMEN1KMT2AMAPT
Methylamine SCHEMBL9769432 0.79 THRB (0.89) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL2805201 0.79 ALB (0.42) THRBMEN1KMT2AMAPTPOLB
SCHEMBL28769924 0.78 LMNA (0.44) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL7596065 0.77 THRB (0.67) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL317180 0.76 THRB (1.00) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL15668658 0.76 AKR1C2 (0.44) THRBPOLBMCL1GPR35SMN1; SMN2
SCHEMBL1009517 0.75 THRB (0.65) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL4781541 0.74 THRB (0.69) THRBKDM4EMEN1KMT2AMAPT
SCHEMBL39598 0.74 SELL (0.42) THRBKDM4EMEN1KMT2AMAPT

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 THRB 717/4885KDM4E 689/4885MEN1 167/4885

“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.