SCHEMBL5529146

SCHEMBL5529146

CCOC(=O)C(Br)Oc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5529539 0.83 PPARA (0.50) KMT2AMAPTLMNACYP1A2ALDH1A1
SCHEMBL15140360 0.83 PPARG (0.47) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL28203314 0.83 PPARG (0.47) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2106687 0.81 LMNA (0.60) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL10487619 0.81 LMNA (0.60) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL3369250 0.81 LMNA (0.60) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL11285398 0.81 CYP1A2 (0.40) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL21992537 0.79 NPSR1 (0.47) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL28549855 0.78 MAPT (0.39) NPSR1KMT2AMAPTMEN1LMNA
SCHEMBL27845044 0.78 PPARG (0.44) NPSR1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 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 (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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 NPSR1 4803/4885KMT2A 4155/4885MAPT 3656/4885

“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.