SCHEMBL23700129

SCHEMBL23700129

CCc1cc(OCc2ccccc2)c(Br)cc1C1OCCO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2A P28223 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 3/20 0.40
CCR5 P51681 2/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
SLC6A4 P31645 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 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
SCHEMBL27756953 0.88 HTR2C (0.46) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL589281 0.85 HTR2C (0.50) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL23700093 0.82 HTR2C (0.47) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL31056266 0.81 HTR2C (0.46) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL31056681 0.80 HTR2C (0.44) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL31056082 0.79 KDM1A (0.45) HTR2CHTR2APTPN1CCR5RAB9A
SCHEMBL31056166 0.76 HTR2C (0.41) HTR2CHTR2AMEN1KMT2APTPN1
SCHEMBL31056217 0.76 FOLH1 (0.48) MEN1KMT2ASIRT1HSD17B10ALDH1A1
SCHEMBL12702768 0.76 RAB9A (0.48) HTR2CHTR2APTPN1CCR5RAB9A
SCHEMBL8408319 0.76 SLC6A4 (0.52) HTR2CPTPN1CCR5RAB9ASMN1; SMN2

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-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-08-05 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-20210238170-A1 5,5-Difluoro- and 5-Fluoro-5-Methyl-C-Glycoside Derivatives Useful As Dual SGLT1 / SGLT2 Modulators SLC5A2, SLC5A1, SLC2A4 HTR2C 327/4885HTR2A 496/4885MEN1 4364/4885

“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.