SCHEMBL18932152

SCHEMBL18932152

CC(C)Oc1cc2oc(=O)c3c(c2cc1O)CCCC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.69
KDM4E B2RXH2 12/20 0.69
HSD17B10 Q99714 11/20 0.69
TSHR P16473 11/20 0.69
HPGD P15428 10/20 0.69
POLB P06746 1/20 0.69
MAPT P10636 3/20 0.56
GLA P06280 3/20 0.56
GAA P10253 3/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 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
SCHEMBL4759826 0.85 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL8244817 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4708938 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4713044 0.84 ALDH1A1 (0.95) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4759842 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4710590 0.83 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4790925 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL8805983 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4714112 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL4710374 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TSHRHPGD

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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 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 (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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods SI, GUSB, ABCG2 ALDH1A1 426/4885KDM4E 4802/4885HSD17B10 1954/4885
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS SI, GUSB, ABCG2 ALDH1A1 426/4885KDM4E 4802/4885HSD17B10 1954/4885

“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.