SCHEMBL1770098

SCHEMBL1770098

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
CYP3A4 P08684 2/20 0.39

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
SCHEMBL2955343 0.85 ALDH1A1 (0.56) CA2ALDH1A1PTPN1CYP3A4HPGD
SCHEMBL1119927 0.85 CA2 (0.56) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL25523180 0.81 NCOA1 (0.44) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL5085895 0.81 MAPT (0.51) CA2CA4ALDH1A1HSD17B10TPMT
SCHEMBL11216824 0.81 HSD17B10 (0.52) CA2CA4ALDH1A1HSD17B10TPMT
SCHEMBL1119847 0.79 CA2 (0.33) CA2CA4PTPN1TUBB4ATUBB
SCHEMBL30550473 0.78 ALDH1A1 (0.48) CA2CA4ALDH1A1PTPN1TUBB1
SCHEMBL29217850 0.78 CA2 (0.56) CA2CA4ALDH1A1TUBB4ATUBB
SCHEMBL11271329 0.77 ATM (0.45) CA2CA4ALDH1A1HSD17B10TPMT
SCHEMBL14300196 0.77 CA2 (0.45) CA2CA4ALDH1A1HSD17B10TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059090-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-03-21 WO disclosed
WO-2024059017-A2 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-03-21 WO disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 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
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 US disclosed
CN-101998852-A Novel estrogen receptor ligands KAROBIO AB 2011-03-30 CN 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 (3 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
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA CA2 3153/4885CA4 1696/4885ALDH1A1 1425/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 CA2 2388/4885CA4 641/4885ALDH1A1 2336/4885

“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.