SCHEMBL19176232

SCHEMBL19176232

CCc1cc(C)c(C)cc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 3/20 0.43
ATM Q13315 1/20 0.42
PRKDC P78527 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 3/20 0.41
NSD2 O96028 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19170717 0.83 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1NPC1TSHR
SCHEMBL24202815 0.83 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1LMNATSHR
SCHEMBL13503416 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX15HPGDLMNA
SCHEMBL19170774 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX15HPGDPRKDC
SCHEMBL10310114 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10ALOX15HPGDATM
SCHEMBL12875592 0.76 CYP2A13 (0.51) ALDH1A1PKMPRKDCLMNATSHR
SCHEMBL2821701 0.76 P2RX7 (0.51) ALDH1A1PKMHPGDPRKDCL3MBTL1
SCHEMBL16363805 0.76 GAA (0.53) ALDH1A1HPGDL3MBTL1LMNATSHR
SCHEMBL24992291 0.75 ALDH3A1 (0.45) ALDH1A1PKMHSD17B10ALOX15HPGD
SCHEMBL24630249 0.75 MAPT (0.61) ALDH1A1ATML3MBTL1LMNANSD2

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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 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-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885PKM 2662/4885HSD17B10 1309/4885

“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.