SCHEMBL5533467

SCHEMBL5533467

CC(=O)c1ccc(OCC(=O)O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
CREBBP Q92793 1/20 0.46

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
SCHEMBL8637573 0.85 KMT2A (0.60) PTGDR2MEN1KMT2AALDH1A1POLB
SCHEMBL6578639 0.84 LMNA (0.51) FFAR1LMNAMAPK1HTTRAB9A
SCHEMBL3014488 0.82 PTGDR2 (0.53) PTGDR2LMNAMEN1KMT2AMAPT
SCHEMBL5531456 0.82 KMT2A (0.54) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL5907838 0.81 KMT2A (0.73) MAPK1HTTMEN1KMT2AALDH1A1
SCHEMBL21873517 0.81 LMNA (0.50) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL7566116 0.81 PTGDR2 (0.63) PTGDR2PKMMEN1KMT2ACREBBP
SCHEMBL18254560 0.81 CREBBP (0.50) LMNAMAPK1HTTRAB9AKMT2A
SCHEMBL4747320 0.80 MAOB (0.59) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9912420 0.80 FFAR1 (0.61) FFAR1PTGDR2PKMPPARGPPARD

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 FFAR1 882/4885PTGDR2 630/4885LMNA 2187/4885

“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.