SCHEMBL5754594

SCHEMBL5754594

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4ccc(OC)cc4OC)c(OC(C)=O)c4ccccc4c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
EDNRB P24530 2/20 0.38
EDNRA P25101 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL5751498 0.83 KDM4E (0.42) BACE1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5752713 0.82 BACE1 (0.41) BACE1KDM4EKMT2AMEN1POLB
SCHEMBL5751776 0.81 KDM4E (0.36) BACE1KDM4EALDH1A1NPC1MAPT
SCHEMBL15254539 0.80 KDM4E (0.39) BACE1KDM4EALDH1A1NPC1MAPT
SCHEMBL5750747 0.78 BACE1 (0.38) BACE1EDNRAKDM4EKMT2AMEN1
SCHEMBL7677901 0.78 EDNRB (0.39) BACE1EDNRBEDNRAKDM4EKMT2A
SCHEMBL8782636 0.74 GPR84 (0.39) BACE1KDM4EKMT2AMEN1POLB
SCHEMBL8445339 0.74 BACE1 (0.40) BACE1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL6169861 0.74 ATM (0.41) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL9899542 0.73 CYP1A1 (0.41) BACE1EDNRBEDNRAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP claimed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 US disclosed
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP disclosed
US-20020173667-A1 NOVEL AROMATIC SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL LIMITED (IE) 2002-11-21 US disclosed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 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-20020173667-A1 NOVEL AROMATIC SUBSTITUTED NAPHTHOPYRANS TYR, B3GNT2, PAH BACE1 3453/4885EDNRB 3428/4885EDNRA 2069/4885

“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.