SCHEMBL3696453

SCHEMBL3696453

Cc1cc(C)c([I+]C2C(=O)OC(C)(C)OC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3709910 0.73 GLA (0.38) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL7025459 0.71 NPC1 (0.35) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL3703876 0.64 ALDH1A1 (0.41) ALDH1A1NPSR1GLA
SCHEMBL3708994 0.64 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1GLA
Orcinol SCHEMBL2847012 0.64 ALDH1A1 (0.41) NPC1ALDH1A1GAAMAPTNPSR1
SCHEMBL3713259 0.62 GLA (0.60) ALDH1A1NPSR1GLAKDM4E
SCHEMBL9282920 0.62 TSHR (0.44) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL3708565 0.61 HSD17B10 (0.40) ALDH1A1GAAMAPTNPSR1GLA
SCHEMBL9193314 0.61 GLA (0.48) ALDH1A1NPSR1GLAKDM4E
SCHEMBL9193771 0.61 GLA (0.69) ALDH1A1GAAMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
US-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 NPC1 395/4885ALDH1A1 842/4885GAA 100/4885

“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.