SCHEMBL1748175

SCHEMBL1748175

COc1cc(Cl)cc(C=O)c1OC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.66
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.44
PRKDC P78527 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
TUBB1 Q9H4B7 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27889697 0.84 ERN1 (0.57) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30973586 0.83 ERN1 (0.55) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL28293621 0.82 ERN1 (0.68) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31551028 0.82 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6413771 0.82 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL415808 0.81 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL14292141 0.81 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL20196192 0.81 ERN1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6090664 0.80 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5883425 0.80 KDM4E (0.66) ERN1ALDH1A1KDM4ETSHRTDP1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113666812-B Synthesis method of 5-halogenated veratraldehyde 四川大学 2022-06-24 CN disclosed
CN-113735847-B Synthetic preparation method of berberine hydrochloride 四川大学 2022-06-07 CN disclosed
CN-113735847-A Synthetic preparation method of berberine hydrochloride 四川大学 2021-12-03 CN disclosed
CN-113666812-A Synthesis method of 5-halogenated veratraldehyde 四川大学 2021-11-19 CN disclosed
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 EP disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423395-B2 Fluorescent cell cycle probe having M-phase specificity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
US-20150355168-A1 FLUORESCENT CELL CYCLE PROBE HAVING M-PHASE SPECIFICITY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 US disclosed
EP-2103596-A1 Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-23 EP disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
EP-1687641-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS Acadia Pharmaceuticals Inc. (US) 2006-08-09 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ERN1 4404/4885ALDH1A1 1488/4885KDM4E 1616/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR ERN1 988/4885ALDH1A1 1587/4885KDM4E 2123/4885
US-20150355168-A1 FLUORESCENT CELL CYCLE PROBE HAVING M-PHASE SPECIFICITY CCNB1, BOD1L1, CCNB3 ERN1 2128/4885ALDH1A1 3833/4885KDM4E 3890/4885

“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.