SCHEMBL18474265

SCHEMBL18474265

CCC1Cc2ccc(F)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.46
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 9/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17193927 0.86 AKR1B1 (0.46) AKR1B1HTR1DHTR1BCA2MAOB
SCHEMBL20274118 0.86 AKR1B1 (0.46) AKR1B1HTR1DHTR1BCA2MAOB
SCHEMBL8257436 0.83 AKR1B1 (0.37) AKR1B1CA2MAOBHTR2AHTR2C
SCHEMBL8259596 0.82 BACE1 (0.37) AKR1B1CA2ACHEMAOB
SCHEMBL20297420 0.80 AKR1B1 (0.41) AKR1B1CA2HTR2AHTR2CMEN1
SCHEMBL20297421 0.80 AKR1B1 (0.41) AKR1B1CA2HTR2AHTR2CMEN1
SCHEMBL5548007 0.79 MAOA (0.35) AKR1B1TP53
SCHEMBL5548009 0.79 MEN1 (0.46) MEN1KMT2ALMNATP53MAPT
SCHEMBL13072472 0.79 HRH3 (0.38) AKR1B1ACHEMEN1KMT2ALMNA
SCHEMBL2056484 0.79 HTR2A (0.39) AKR1B1HTR2AHTR2C

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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 AKR1B1 225/4885HTR1D 1586/4885HTR1B 681/4885

“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.