SCHEMBL2628175

SCHEMBL2628175

Cc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 10/20 0.70
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TP53 P04637 1/20 0.62
CYP2C9 P11712 1/20 0.62
PTGER1 P34995 1/20 0.62
PTGER3 P43115 1/20 0.62
PTGER2 P43116 1/20 0.62
PTGDR Q13258 1/20 0.62
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
AKR1B1 P15121 1/20 0.53
MAPT P10636 3/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL11768650 0.92 TTR (0.69) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11322640 0.89 TTR (0.80) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11859861 0.89 TTR (0.64) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL10623602 0.86 TTR (0.83) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL11857659 0.85 NPC1 (0.71) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL2628179 0.85 NPC1 (0.52) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL23693962 0.84 TTR (0.57) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL9980172 0.84 ALPG (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10453744 0.84 TTR (0.72) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL27147943 0.83 TTR (0.53) TTRKDM4EALDH1A1HPGDMEN1

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-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 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 (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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TTR 2536/4885KDM4E 2174/4885ALDH1A1 1302/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TTR 2536/4885KDM4E 2174/4885ALDH1A1 1302/4885

“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.