SCHEMBL896633

SCHEMBL896633

COC(=O)c1ccc(OC)cc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR4A2 P43354 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6182518 0.91 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23540289 0.87 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28819764 0.87 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30164066 0.87 ALDH1A1 (0.50) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL149036 0.87 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11070204 0.86 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3481117 0.86 HPGD (0.53) KDM4ENPC1RAB9ACA1CA2
SCHEMBL2317055 0.85 AKR1C3 (0.50) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL12726158 0.85 ALDH1A1 (0.59) KDM4ECYP1A2CYP2C19NPC1RAB9A
SCHEMBL7921525 0.85 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025019598-A1 POSITIVE ALLOSTERIC MODULATOR OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 2 RECEPTOR, SYNTHESIS AND SOLID FORMS THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-23 WO claimed
CN-117362172-B Nonylphenol hapten as well as preparation method and application thereof 北京市疾病预防控制中心 2024-04-05 CN claimed
CN-117362172-A Nonylphenol hapten as well as preparation method and application thereof 北京市疾病预防控制中心 2024-01-09 CN claimed
EP-4598933-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF Allorion Therapeutics Inc (US) 2025-08-13 EP disclosed
CN-119968377-A Phosphoramidate compounds and uses thereof 安锐生物医药公司 2025-05-09 CN disclosed
WO-2025019598-A1 POSITIVE ALLOSTERIC MODULATOR OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 2 RECEPTOR, SYNTHESIS AND SOLID FORMS THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-23 WO disclosed
WO-2025006553-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-02 WO disclosed
WO-2024263563-A1 METABOTROPIC GLUTAMATE SUBTYPE-2 AND -3 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-12-26 WO disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 WO disclosed
CN-117362172-B Nonylphenol hapten as well as preparation method and application thereof 北京市疾病预防控制中心 2024-04-05 CN disclosed
CN-117362172-A Nonylphenol hapten as well as preparation method and application thereof 北京市疾病预防控制中心 2024-01-09 CN disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
US-6747049-B2 NON-INSULIN DEPENDENT DIABETES MELLITUS. HOFFMANN-LA ROCHE INC. 2004-06-08 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
US-20040006116-A1 Oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-01-08 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2003057670-A2 INDOLES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-07-17 WO disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO 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-20040006116-A1 Oxazole derivatives GPR119, IRS1, INSR KDM4E 2436/4885CYP1A2 286/4885CYP2D6 210/4885
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT KDM4E 2782/4885CYP1A2 4/4885CYP2D6 30/4885

“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.