Sugi Predict

Sugi Predict / Compounds / SCHEMBL6401475

SCHEMBL6401475

SCHEMBL6401475

CC(C)c1cc(O)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 4/20 0.43
▸ ACE2 Q9BYF1 1/20 0.42
▸ GABRA1 P14867 3/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90AB1 P08238 2/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL19658048 0.83 TYR (0.43) TYRGABRA1GABRG2GABRB3HSP90AA1
SCHEMBL15801260 0.83 ACE2 (0.42) TYRACE2GABRA1GABRG2GABRB3
SCHEMBL5392407 0.82 TSHR (0.46) TYRACE2HSP90AA1HSP90AB1LMNA
Hydrochloric Acid SCHEMBL4368935 0.82 TYR (0.40) TYRSLC6A2HTR2BCYP1A2CYP3A4
SCHEMBL3843327 0.82 TYR (0.42) TYRGABRA1GABRG2GABRB3CA1
SCHEMBL11402639 0.82 TYR (0.50) TYRGABRA1GABRG2GABRB3CA1
SCHEMBL11700185 0.82 GABRA1 (0.45) TYRGABRA1GABRG2GABRB3CA1
SCHEMBL10587687 0.80 TYR (0.49) TYRCYP3A4TSHRMEN1MAPT
SCHEMBL9686320 0.79 ACE2 (0.42) TYRACE2GABRA1GABRG2GABRB3
SCHEMBL22380013 0.79 LMNA (0.50) ACE2GABRA1GABRG2GABRB3HSP90AA1

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
CN-1234706-C Nitrogen-oxygen heterocyclic compound and preparation method thereof CHANGCHUN ARTIFICIAL RESIN FAC (CN) 2006-01-04 — — CN disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 — — US disclosed
CN-1490318-A Nitrogen-oxygen heterocyclic compound and preparation method thereof 长春人造树脂厂股份有限公司 2004-04-21 — — CN disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 — — US disclosed
US-6211328-B1 IN PRESENCE OF AN ACID GUN EI CHEMICAL INDUSTRY CO., LTD (JP) 2001-04-03 — — 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TYR 485/4885ACE2 3730/4885GABRA1 690/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TYR 314/4885ACE2 3577/4885GABRA1 688/4885

“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.