SCHEMBL6855574

SCHEMBL6855574

COc1cc(-c2ccc(C(=O)N3CCN(CCCN4CCN(C(=O)c5ccc(-c6cc(OC)c(OC(C)C)c(OC)c6)cc5)CC4)CC3)cc2)cc(OC)c1OC(C)C.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 8/20 0.48
HTR2A known ✓ P28223 2/20 0.48
DRD3 known ✓ P35462 4/20 0.45
POLB P06746 1/20 0.49
SLC29A1 Q99808 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
Hydrochloric Acid SCHEMBL7031870 0.97 POLB (0.52) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL6857653 0.95 POLB (0.53) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL5572674 0.89 POLB (0.59) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL6850871 0.87 DRD2 (0.50) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL5572651 0.85 POLB (0.64) POLBDRD2HTR2ASLC29A1ALDH1A1
Hydrochloric Acid SCHEMBL5570686 0.84 POLB (0.63) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL5572627 0.83 POLB (0.64) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL6855146 0.81 DRD2 (0.55) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL5570688 0.81 SLC29A1 (0.66) POLBDRD2HTR2ASLC29A1ALDH1A1
SCHEMBL5569613 0.81 POLB (0.67) POLBDRD2SLC29A1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 US claimed
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 US disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 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-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A DRD2 1897/4885HTR2A 3834/4885DRD3 1130/4885

“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.