SCHEMBL5825855

SCHEMBL5825855

OCCCOc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
CYP2D6 P10635 1/20 0.60
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KCNH2 Q12809 1/20 0.57
KDM4E B2RXH2 2/20 0.56
WDR5 P61964 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
FFAR1 O14842 2/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL8955728 0.93 HRH3 (0.57) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL2096611 0.90 KMT2A (0.62) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL715593 0.86 ALDH1A1 (0.54)
SCHEMBL9808215 0.86 LMNA (0.67) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL1685432 0.84 DRD2 (0.62) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL10458289 0.82 LMNA (0.59) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL9774806 0.82 DRD2 (0.60) KMT2ACYP2D6DRD2DRD4LMNA
SCHEMBL2096242 0.82 WDR5 (0.59) KMT2ACYP2D6DRD2DRD4LMNA
Methyl Alcohol SCHEMBL27541418 0.81 KMT2A (0.71) KMT2ADRD2DRD4LMNAMAPK1
Sulfamate SCHEMBL9451417 0.81 KMT2A (0.54) KMT2ACYP2D6DRD2DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
EP-0044940-B1 AMINO-DESOXY-1.4;3.6-DIANHYDRO-HEXITE NITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP disclosed
US-4363805-A TREATMENT OF CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-14 US disclosed
EP-0044940-A1 Amino-desoxy-1.4;3.6-dianhydro-hexite nitrates, processes for their preparation and pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KMT2A 2022/4885CYP2D6 2982/4885DRD2 621/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KMT2A 2006/4885CYP2D6 2504/4885DRD2 747/4885

“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.