SCHEMBL12665433

SCHEMBL12665433

CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ LMNA P02545 6/20 0.58
▸ KDM4E B2RXH2 8/20 0.56
▸ HPGD P15428 5/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ HSD17B10 Q99714 5/20 0.55
▸ TSHR P16473 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ BRD4 O60885 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ TOP2A P11388 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TOP2B Q02880 1/20 0.52
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL11394177 0.89 ALDH1A1 (0.76) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL12665447 0.86 DRD3 (0.79) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL10918967 0.86 ALDH1A1 (0.55) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL10838616 0.85 KDM4E (0.76) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL11396870 0.84 ALDH1A1 (0.60) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL30605634 0.84 ALDH1A1 (0.74) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL11392814 0.84 ALDH1A1 (0.74) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL12665518 0.83 LMNA (0.80) ALDH1A1DRD3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11026221 0.83 ALDH1A1 (0.73) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9748511 0.80 ALDH1A1 (0.58) ALDH1A1DRD3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 — — 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB ALDH1A1 4730/4885DRD3 3838/4885MEN1 166/4885

“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.

Send feedback