SCHEMBL17000445

SCHEMBL17000445

COc1c(N)cc(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 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
SCHEMBL2101809 0.88 CYP3A4 (0.50) CYP3A4ALDH1A1GAANPC1THRB
Hydrochloric Acid SCHEMBL2103697 0.86 CYP3A4 (0.48) CYP3A4ALDH1A1GAANPC1THRB
Hydrochloric Acid SCHEMBL2103696 0.84 CYP3A4 (0.46) CYP3A4ALDH1A1GAANPC1THRB
SCHEMBL16608098 0.83 ALDH1A1 (0.38) CYP3A4ALDH1A1GAANPC1TUBB4A
SCHEMBL6079187 0.82 GAA (0.43) CYP3A4ALDH1A1GAANPC1KDM4E
SCHEMBL30261672 0.82 GAA (0.43) CYP3A4ALDH1A1GAANPC1KDM4E
SCHEMBL28097249 0.80 GAA (0.42) CYP3A4ALDH1A1GAANPC1THRB
SCHEMBL2103590 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1GAANPC1THRB
SCHEMBL7953864 0.80 ALDH1A1 (0.47) CYP3A4ALDH1A1GAANPC1KDM4E
SCHEMBL22588510 0.78 GAA (0.41) ALDH1A1GAANPC1KDM4ETUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 EP disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 US disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 US disclosed
EP-2918641-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2015-09-16 EP disclosed
WO-2015117984-A1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2015-08-13 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-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 CYP3A4 2751/4885ALDH1A1 1699/4885GAA 730/4885

“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.