SCHEMBL24449082

SCHEMBL24449082

O=C(/C=C\c1ccccc1)Cc1ccc2oc(-c3cccnc3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.72
▸ ALDH1A1 P00352 6/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ TSHR P16473 1/20 0.60
▸ HSD17B10 Q99714 4/20 0.58
▸ POLB P06746 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ HPSE Q9Y251 7/20 0.58
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ RAB9A P51151 2/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL25795646 0.84 KDM4E (1.00) KDM4EALDH1A1NPC1MAPK1TSHR
SCHEMBL19428488 0.82 KDM4E (0.79) KDM4EALDH1A1NPC1MAPK1TSHR
SCHEMBL2245197 0.80 KDM4E (0.66) KDM4EALDH1A1NPC1TSHRHSD17B10
SCHEMBL29614766 0.80 KDM4E (0.66) KDM4EALDH1A1NPC1TSHRHSD17B10
SCHEMBL19307125 0.80 KDM4E (0.66) KDM4EALDH1A1NPC1TSHRHSD17B10
SCHEMBL2245200 0.80 KDM4E (0.66) KDM4EALDH1A1NPC1TSHRHSD17B10
SCHEMBL17544366 0.78 KDM4E (0.71) KDM4EALDH1A1NPC1MAPK1TSHR
SCHEMBL29681116 0.78 KDM4E (0.71) KDM4EALDH1A1NPC1MAPK1TSHR
SCHEMBL23633316 0.77 KDM4E (0.74) KDM4EALDH1A1NPC1MAPK1TSHR
SCHEMBL17541563 0.77 TSHR (0.80) KDM4EALDH1A1NPC1MAPK1TSHR

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
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885ALDH1A1 4022/4885NPC1 861/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 KDM4E 3937/4885ALDH1A1 901/4885NPC1 3794/4885

“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.

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