SCHEMBL6800542

SCHEMBL6800542

C=C1c2ccc(O)cc2C(C)C12Cc1ccc(O)cc1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
MEN1 O00255 2/20 0.34
GLA P06280 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6800177 0.83 ESR2 (0.38) DYRK1AKDM4EALDH1A1HSD17B1ESR1
SCHEMBL6802036 0.81 DYRK1A (0.33) DYRK1AMEN1GLAKMT2AGAA
SCHEMBL6802032 0.81 DYRK1A (0.33) DYRK1AMEN1GLAKMT2AGAA
SCHEMBL6796147 0.78 MEN1 (0.39) MEN1GLAKMT2AGAAKDM4E
SCHEMBL6802692 0.78 MEN1 (0.39) MEN1GLAKMT2AGAAKDM4E
SCHEMBL6797067 0.73 MAOA (0.43) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL6794061 0.72 OPRM1 (0.37) ESR1ESR2SIGMAR1OPRM1OPRD1
SCHEMBL6798568 0.71 OPRM1 (0.39) ESR1ESR2SIGMAR1OPRM1OPRD1
SCHEMBL6795255 0.69 OPRM1 (0.37) ESR1ESR2SIGMAR1OPRM1OPRD1
SCHEMBL6794695 0.68 OPRM1 (0.37) LMNACYP2D6TSHRESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 US disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO 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 (4 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR DYRK1A 2106/4885MEN1 1785/4885GLA 404/4885
US-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B DYRK1A 4144/4885MEN1 4637/4885GLA 1660/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B DYRK1A 4284/4885MEN1 4585/4885GLA 1629/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B DYRK1A 4096/4885MEN1 4687/4885GLA 1780/4885

“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.