SCHEMBL3385089

SCHEMBL3385089

O=C(O)c1ccccc1Oc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 9/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 5/20 0.52
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
HMGB1 P09429 1/20 0.52
TSHR P16473 1/20 0.52
GGT1 P19440 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
BLM P54132 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 1/20 0.50
PDE3A Q14432 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.49

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
SCHEMBL446113 0.88 HTT (0.77) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29682980 0.88 HTT (0.77) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3838513 0.86 ELANE (0.46) HTTALDH1A1TDP1USP2MAPT
Hydrochloric Acid SCHEMBL9633469 0.86 HTT (0.74) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29839667 0.86 HTT (0.81) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8434168 0.86 HTT (0.81) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19642387 0.84 ALDH1A1 (0.48) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17828200 0.84 TTR (0.47) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7454837 0.84 ELANE (0.51) HTTALDH1A1HPGDMAPTCYP1A2
Ethylene SCHEMBL8620063 0.84 HTT (0.71) HTTALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022264759-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2022-12-22 WO disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 HTT 3367/4885ALDH1A1 927/4885KDM4E 2206/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 HTT 3367/4885ALDH1A1 927/4885KDM4E 2206/4885

“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.