SCHEMBL2888418

SCHEMBL2888418

CCc1ccccc1C(C)Nc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.54
SLC6A4 P31645 10/20 0.54
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PPARA Q07869 1/20 0.42
KCNH2 Q12809 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SLC1A5 Q15758 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
P2RY1 P47900 1/20 0.37

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
SCHEMBL13028225 0.85 HTR2A (0.54) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2890163 0.85 HTR2A (0.54) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL2892491 0.83 HTR2A (0.58) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL13028234 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL2890300 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL2890310 0.80 HTR2A (0.51) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL13028326 0.80 HTR2A (0.51) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL2888447 0.79 HTR2A (0.46) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL13028226 0.79 HTR2A (0.46) HTR2ASLC6A4SLC6A2SLC6A3PPARA
SCHEMBL12929642 0.76 SLC6A4 (0.68) HTR2ASLC6A4SLC6A2SLC6A3PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 HTR2A 1938/4885SLC6A4 1489/4885SLC6A2 1925/4885

“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.