SCHEMBL4513832

SCHEMBL4513832

CCOC(=O)c1ccc(C(=O)O)cc1Oc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL4502266 0.88 TTR (0.53) TSHRRXRASMN1; SMN2LMNAMAPT
SCHEMBL490655 0.87 TSHR (0.45) TSHRSMN1; SMN2LMNANPC1RAB9A
SCHEMBL4504201 0.87 MAPT (0.51) TSHRRXRARXRBLPAR1LPAR5
SCHEMBL490298 0.86 TTR (0.57) TSHRPTGS2SMN1; SMN2MAPTALDH1A1
SCHEMBL1958493 0.84 TSHR (0.50) TSHRPTGS2SMN1; SMN2LMNAMAPT
SCHEMBL4397331 0.83 TSHR (0.65) TSHRPTGS2SMN1; SMN2LMNAMAPT
SCHEMBL4506553 0.81 PTGER4 (0.47) TSHRRXRALPAR1LPAR5SMN1; SMN2
SCHEMBL6439002 0.80 TSHR (0.60) TSHRSMN1; SMN2LMNANPC1RAB9A
SCHEMBL30024762 0.80 TSHR (0.60) TSHRRXRALMNAMEN1KMT2A
SCHEMBL17559347 0.80 TSHR (0.60) TSHRRXRALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 TSHR 499/4885RXRA 567/4885RXRB 538/4885

“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.