SCHEMBL8301647

SCHEMBL8301647

Cc1cccc(Cl)c1OCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HTR1A P08908 1/20 0.47
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.39
SCN8A Q9UQD0 3/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SCN4A P35499 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL16446365 0.90 KDM4E (0.55) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL515980 0.86 ALDH1A1 (0.61) KDM4EMAPTALDH1A1KMT2ARECQL
SCHEMBL10358952 0.86 KMT2A (0.53) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL16572858 0.83 KDM4E (0.68) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL21601403 0.81 KDM4E (0.61) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL1195459 0.80 ALDH1A1 (0.63) KDM4EL3MBTL1GAAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL21595745 0.80 KDM4E (0.59) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL28298076 0.79 ALDH1A1 (0.50) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL21601469 0.79 KDM4E (0.58) KDM4EL3MBTL1GAAMAPTRAB9A
SCHEMBL15869671 0.79 KDM4E (0.58) KDM4EL3MBTL1GAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
EP-2247571-B1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIV JAGIELLONSKI (PL) 2014-09-10 EP disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
EP-0391942-A1 PROCESS FOR THE PREPARATION OF ARYLOXYACETIC ACID EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-10-17 EP disclosed
US-4935540-A OXIDIZING ARYLOXYETHANOL IN PRESENCE OF PALLADIUM AND THALLIU M ON CARBON CATALYST, ACIDIFYING EASTMAN CHEMICAL COMPANY 1990-06-19 US disclosed
WO-1989003378-A1 PROCESS FOR THE PREPARATION OF ARYLOXYACETIC ACID EASTMAN KODAK COMPANY (US) 1989-04-20 WO disclosed
US-4804777-A OXIDATION OF ARYLOXYETHANOL USING PALLADIUM, SILVER, CARBON CATALYST EASTMAN KODAK COMPANY (US) 1989-02-14 US disclosed
EP-0011793-B1 PROCESS FOR PREPARING ARYLOXYACETIC ACIDS BAYER AG (DE) 1981-09-02 EP disclosed
US-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4238625-A ACTIVATORS OF LEAD AND/OR BISMUTH AND/OR THEIR COMPOUNDS FOR OXIDATION WITH PLATINUM OR PALLADIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011793-A1 Process for preparing aryloxyacetic acids BAYER AG (DE) 1980-06-11 EP 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-20090035313-A1 Compounds NQO1, NAMPT, NNT KDM4E 3109/4885L3MBTL1 4529/4885GAA 867/4885

“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.