SCHEMBL1119927

SCHEMBL1119927

COc1cc(Br)c(OC)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.56
▸ CA4 P22748 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL5236856 0.85 TUBB1 (0.58) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL1770098 0.85 CA2 (0.48) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL14511772 0.83 TPMT (0.58) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL5035434 0.83 CA2 (0.46) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL31456115 0.83 CA2 (0.46) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL301662 0.82 HSD17B10 (0.59) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL3683983 0.80 CA2 (0.54) CA2CA4TUBB4ATUBBTUBA3C
SCHEMBL5090250 0.79 CA2 (0.55) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL28647762 0.79 CA2 (0.75) CA2CA4TUBB4ATUBBTUBA3C
SCHEMBL11403757 0.79 ALDH1A1 (0.59) CA2CA4ALDH1A1MAPTCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087922-A Clover-shaped metal organic supermolecule and preparation method and application thereof 广州大学 2021-07-09 — — CN claimed
CN-113087922-A Clover-shaped metal organic supermolecule and preparation method and application thereof 广州大学 2021-07-09 — — CN disclosed
CN-102718800-B 3,7-bis-(diphenyl phosphine oxygen base)-2,6-phenylbenzene benzo two furan derivatives, its preparation method and organic electroluminescence device Haiyangwang Lighting Technology Co., Ltd. (CN) 2015-10-28 — — CN disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
EP-2280699-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-02-09 — — EP disclosed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 — — WO disclosed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 — — 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 (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-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR2, ESR1, ESRRA CA2 412/4885CA4 585/4885ALDH1A1 958/4885

“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.

Send feedback