SCHEMBL2538873

SCHEMBL2538873

Cc1cc(C(C)O)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
BACE1 P56817 1/20 0.53
PRNP P04156 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 4/20 0.49
NPFFR1 Q9GZQ6 1/20 0.49
NPFFR2 Q9Y5X5 1/20 0.49
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL30196588 1.00 CYP1A2 (0.56) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL2600753 0.85 CYP1A2 (0.60) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL6463226 0.85 CYP1A2 (0.51) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL4264698 0.82 ADORA2A (0.42) CYP1A2BACE1PRNPRXFP1POLB
SCHEMBL21848468 0.82 BACE1 (0.58) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL17673275 0.80 CYP1A2 (0.58) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL21848469 0.79 BACE1 (0.54) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL17247288 0.79 CYP1A2 (0.53) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL25523507 0.79 CYP1A2 (0.53) CYP1A2BACE1PRNPRXFP1ALDH1A1
SCHEMBL18463865 0.77 CYP1A2 (0.55) CYP1A2BACE1PRNPRXFP1ALDH1A1

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
CN-113979937-B Method for preparing substituted aromatic heterocyclic compound from aromatic heterocyclic compound 内蒙古民族大学 2023-03-21 CN disclosed
CN-113979937-A Method for preparing substituted aromatic heterocyclic compound from aromatic heterocyclic compound 内蒙古民族大学 2022-01-28 CN disclosed
US-10029996-B2 Class of cyano-substituted asymmetric cyanine dyes, synthesizing method and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2018-07-24 US disclosed
US-20150118703-A1 CLASS OF CYANO-SUBSTITUTED ASYMMETRIC CYANINE DYES, SYNTHESIZING METHOD AND APPLICATION THEREOF SICHUAN ANKERUI NEW MATERIAL TECHNOLOGY CO., LTD (CN) 2015-04-30 US disclosed
US-8298766-B2 Fluorescent dyes, methods of synthesis and applications thereof SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2012-10-30 US disclosed
US-20110262904-A1 FLUORESCENT DYES,METHODS OF SYNTHESIS AND APPLICATIONS THEREOF SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2011-10-27 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 (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-10029996-B2 Class of cyano-substituted asymmetric cyanine dyes, synthesizing method and application thereof HCCS, MKI67, MB CYP1A2 2240/4885BACE1 3937/4885PRNP 3632/4885
US-20150118703-A1 CLASS OF CYANO-SUBSTITUTED ASYMMETRIC CYANINE DYES, SYNTHESIZING METHOD AND APPLICATION THEREOF HCCS, MKI67, MB CYP1A2 2240/4885BACE1 3937/4885PRNP 3632/4885
US-20110262904-A1 FLUORESCENT DYES,METHODS OF SYNTHESIS AND APPLICATIONS THEREOF CBR3, CCR3, BCL3 CYP1A2 2333/4885BACE1 4633/4885PRNP 2435/4885

“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.