SCHEMBL3084451

SCHEMBL3084451

Cc1ccccc1S(=O)(=O)OCCCOC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR6 P50406 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HCRTR2 O43614 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7619544 0.83 KMT2A (0.43) ALDH1A1HTR6MEN1KMT2AESR1
SCHEMBL2410263 0.80 ALDH1A1 (0.43) PKMALDH1A1GAAPOLBATM
SCHEMBL7068761 0.78 PKM (0.40) PKMALDH1A1HTR6THRBEPHX2
SCHEMBL868426 0.77 ALDH1A1 (0.47) PKMALDH1A1HTR6THRBEPHX2
SCHEMBL8654494 0.76 KMT2A (0.45) PKMALDH1A1HTR6MEN1KMT2A
SCHEMBL20129169 0.76 ALDH1A1 (0.42) PKMALDH1A1ESR1ESR2POLB
SCHEMBL3084455 0.76 HPGD (0.43) ALDH1A1KMT2A
SCHEMBL8338879 0.75 ALDH1A1 (0.48) PKMALDH1A1HTR6THRBEPHX2
SCHEMBL7060570 0.75 POLB (0.42) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL7070228 0.75 PKM (0.42) PKMALDH1A1HTR6THRBEPHX2

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 PKM 846/4885ALDH1A1 142/4885HTR6 1436/4885

“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.