SCHEMBL4581325

SCHEMBL4581325

CC(C)=CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GLS O94925 1/20 0.50
KMT2A Q03164 2/20 0.46
CHRM2 P08172 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 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
SCHEMBL2866493 0.83 CA12 (0.49) ALDH1A1GLSKMT2AMEN1CA12
SCHEMBL8967575 0.83 ALDH1A1 (0.46) ALDH1A1GLS
SCHEMBL8533004 0.82 GLS (0.50) GLSKMT2ACHRM2MEN1CYP1A2
SCHEMBL4017572 0.81 ALDH1A1 (0.55) ALDH1A1GLSKMT2AMEN1CA12
SCHEMBL9207150 0.79 GLS (0.55) GLSKMT2ACHRM2MEN1CYP1A2
SCHEMBL9330325 0.79 MAPT (0.52) ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL9330335 0.79 MAPT (0.52) ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL22121427 0.79 GLS (0.59) GLSCYP1A2CYP2C19
SCHEMBL17044807 0.78 ALDH1A1 (0.47) ALDH1A1GLSKMT2AMEN1CA12
SCHEMBL16465525 0.78 ALDH1A1 (0.47) ALDH1A1GLSKMT2AMEN1CA12

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-7399460-B2 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2008-07-15 US disclosed
US-20070077197-A1 Metal Complexes Derivatized with Folate for use in Diagnostic and Therapeutic Applications BRACCO INTERNATIONAL B.V. (NL) 2007-04-05 US disclosed
US-7186397-B2 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2007-03-06 US disclosed
US-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO SUISSE SA (CH) 2001-06-21 US disclosed
US-6221334-B1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO RESEARCH USA, INC. 2001-04-24 US disclosed
EP-1077729-A2 METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2001-02-28 EP disclosed
US-6093382-A A FOLATE-RECEPTOR BINDING LIGAND COMPRSING ONE OR MORE FOLATE BINDING GROUPS, ATLEAST ONE OF WHICH IS CONJUGATED THROUGH ALPHA CARBOXYLATE VIA A LINKING GROUP TO MACROCYCLIC OR NON MACROCYCLIC METAL CHELATING LIGAND RADICAL BRACCO RESEARCH USA INC. (US) 2000-07-25 US disclosed
WO-1999059640-A2 METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 1999-11-25 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-20070077197-A1 Metal Complexes Derivatized with Folate for use in Diagnostic and Therapeutic Applications FOLR1, FOLR2, SLC46A1 ALDH1A1 782/4885GLS 191/4885KMT2A 2417/4885
US-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications FOLR1, FOLR2, SLC46A1 ALDH1A1 1176/4885GLS 166/4885KMT2A 2330/4885

“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.