SCHEMBL20094475

SCHEMBL20094475

C=Cc1ccc(OCc2ccc(OC)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
APP P05067 6/20 0.47
MAOB P27338 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 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
SCHEMBL14102978 0.87 NPC1 (0.61) NPC1RAB9ATDP1APPMAOB
SCHEMBL16093963 0.82 CYP1A2 (0.47) NPC1RAB9ATDP1SMN1; SMN2ALDH1A1
SCHEMBL25307498 0.79 MAOB (0.50) NPC1RAB9ATDP1APPMAOB
SCHEMBL31662278 0.77 APP (0.51) NPC1RAB9ATDP1APPMAOB
SCHEMBL1554192 0.77 MAOB (0.54) NPC1RAB9ATDP1APPMAOB
SCHEMBL25798559 0.77 HDAC8 (0.50) NPC1RAB9ATDP1APPMAOB
SCHEMBL29557093 0.76 HDAC8 (0.42) NPC1RAB9AAPPMAOBSMN1; SMN2
SCHEMBL1250536 0.75 NPC1 (0.57) NPC1RAB9ATDP1APPMAOB
SCHEMBL21244006 0.74 APP (0.61) NPC1RAB9ATDP1APPMAOB
SCHEMBL15716155 0.74 ALDH1A1 (0.39) NPC1SMN1; SMN2ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
US-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-01-26 US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO 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 (2 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-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators NR1H4, FXR1, GPBAR1 NPC1 87/4885RAB9A 1421/4885TDP1 4740/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 NPC1 157/4885RAB9A 1852/4885TDP1 4759/4885

“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.