SCHEMBL7746775

SCHEMBL7746775

CCC=C(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL21744522 0.86 ALDH1A1 (0.59) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL21744806 0.85 ALDH1A1 (0.57) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL14553331 0.84 ALDH1A1 (0.65) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL24370220 0.84 ALDH1A1 (0.65) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL29113043 0.83 CA12 (0.58) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL10617332 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL10296125 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL10296009 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL10617346 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL12324215 0.79 ALDH1A1 (0.51) ALDH1A1CA12CA9MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO SUISSE SA (CH) 2001-06-21 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
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 (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-20010004454-A1 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications FOLR1, FOLR2, SLC46A1 ALDH1A1 1176/4885CA12 320/4885CA9 649/4885

“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.