SCHEMBL6337779

SCHEMBL6337779

CCOc1c(OC)cc(B(O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
BPTF Q12830 1/20 0.44
TUBB1 Q9H4B7 3/20 0.42
TSHR P16473 2/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1B1 Q16678 2/20 0.40
PTGS2 P35354 1/20 0.39
SRC P12931 1/20 0.39
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

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
SCHEMBL5623456 0.88 TSHR (0.52) TUBB1TSHRMEN1KMT2AGAA
SCHEMBL16654413 0.88 POLB (0.47) HTR2AHTR2CHTR2BBPTFCYP1A2
SCHEMBL6341314 0.85 SMN1; SMN2 (0.47) HTR2AHTR2CHTR2BTUBB1TUBB4A
SCHEMBL6340052 0.81 TNFRSF1A (0.47) TSHRMAPTCYP3A4MAPK1
SCHEMBL24433 0.81 CYP3A4 (0.56) HTR2AHTR2CHTR2BTUBB1CYP1A1
SCHEMBL6339479 0.79 MAPT (0.37) HTR2AHTR2CHTR2BTUBB1CYP1A2
SCHEMBL5205549 0.78 HTR2A (0.49) HTR2AHTR2CHTR2BBPTFTUBB1
SCHEMBL16426991 0.78 MAPT (0.54) TSHRMAPTKDM4EGAAMAPK1
SCHEMBL1963060 0.78 PDE4A (0.50) TSHRMAPTKDM4EGAAMAPK1
SCHEMBL5623275 0.76 LIPE (0.53) MAPTMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
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
WO-2003104213-A1 PREPARATION PROCESS OF BIPHENYLCARBOXYLIC ACID AMIDE DERIVATIVES KOWA CO., LTD. (JP) 2003-12-18 WO disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 US disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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 (2 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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 HTR2A 2586/4885HTR2C 2901/4885HTR2B 2979/4885
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A HTR2A 3834/4885HTR2C 4029/4885HTR2B 2749/4885

“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.