SCHEMBL21990759

SCHEMBL21990759

COC(=O)c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.75
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.58
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
CHKA P35790 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL18775300 0.91 PKM (0.68) PKMALDH1A1TSHRCA1CA2
SCHEMBL16996823 0.83 PKM (0.59) PKMALDH1A1CA1CA2RAB9A
Bromide SCHEMBL7962605 0.83 SMN1; SMN2 (0.56) PKMALDH1A1CA1CA2RAB9A
SCHEMBL14393315 0.81 PKM (0.54) PKMALDH1A1RAB9AMAPTLMNA
Bromide SCHEMBL9155378 0.81 NPSR1 (0.62) PKMALDH1A1TSHRCA1CA2
SCHEMBL736568 0.81 LMNA (0.56) PKMALDH1A1RAB9AMAPTLMNA
SCHEMBL127407 0.80 ALDH1A1 (0.52) PKMALDH1A1TSHRRAB9AMAPT
Bromide SCHEMBL140800 0.79 LMNA (0.55) PKMALDH1A1RAB9ALMNACHKA
SCHEMBL4092385 0.79 L3MBTL1 (0.54) PKMALDH1A1RAB9AMAPTLMNA
SCHEMBL18775298 0.78 LOXL2 (0.59) PKMALDH1A1CA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
EP-3442973-B1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2022-08-31 EP disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 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 (6 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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 PKM 3495/4885ALDH1A1 4207/4885TSHR 3471/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 PKM 3495/4885ALDH1A1 4207/4885TSHR 3471/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 PKM 3495/4885ALDH1A1 4207/4885TSHR 3471/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 PKM 3495/4885ALDH1A1 4207/4885TSHR 3471/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 PKM 3423/4885ALDH1A1 4225/4885TSHR 3418/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 PKM 3423/4885ALDH1A1 4225/4885TSHR 3418/4885

“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.