SCHEMBL5041655

SCHEMBL5041655

Clc1cccc(Cl)c1-c1[c]c(C2CC2)on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
NR1H4 Q96RI1 6/20 0.32
FABP1 P07148 3/20 0.32
CYP17A1 P05093 1/20 0.32
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
FABP4 P15090 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HSD17B13 Q7Z5P4 1/20 0.30

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
SCHEMBL19900445 0.90 POLB (0.40) NPC1RAB9APOLBALDH1A1L3MBTL1
SCHEMBL1326560 0.73 ALDH1A1 (0.44) POLBALDH1A1L3MBTL1TSHR
SCHEMBL1179711 0.69 NR1H4 (0.38) NR1H4POLBALDH1A1L3MBTL1TSHR
SCHEMBL19900076 0.67 STAT1 (0.50) NPC1RAB9ASTAT3STAT1POLB
SCHEMBL3639201 0.67 ALDH1A1 (0.36) NPC1RAB9ANR1H4POLBALDH1A1
SCHEMBL10405275 0.66 KMT2A (0.40) NPC1RAB9APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL30437434 0.66 STAT1 (0.49) NPC1RAB9ASTAT3STAT1POLB
Iodide SCHEMBL29388459 0.66 STAT1 (0.49) NPC1RAB9ASTAT3STAT1POLB
SCHEMBL20043329 0.64 NR1H4 (0.48) NR1H4FABP1FABP4HSD17B13
SCHEMBL20944650 0.64 NR1H4 (0.46) NR1H4FABP1ALDH1A1L3MBTL1TSHR

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
CN-106946867-B FXR receptor modulators and its preparation method and application 广州市恒诺康医药科技有限公司 2019-11-12 CN disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR NPC1 426/4885RAB9A 2636/4885STAT3 3224/4885

“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.