SCHEMBL21083236

SCHEMBL21083236

c1ccc2c(Cn3cc[n+](Cc4cccc5ccccc45)c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
DAO P14920 1/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL2034585 0.80 MEN1 (0.44) POLBKMT2AMEN1ACHETDP1
SCHEMBL2034586 0.80 POLB (0.51) POLBKMT2AACHECYP1A2CYP2C9
Bromide SCHEMBL28752478 0.79 MEN1 (0.46) POLBKMT2AMEN1ACHETDP1
SCHEMBL3258886 0.75 POLB (0.64) POLBKMT2AACHETDP1CA2
Bromide SCHEMBL2535574 0.74 CYP2A13 (0.37) KMT2AMEN1ACHECA2ALDH1A1
SCHEMBL14927208 0.73 MEN1 (0.55) KMT2AMEN1TDP1CA2CYP1A2
SCHEMBL13319087 0.73 MAPT (0.43) POLBKMT2AMEN1CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL11730011 0.72 MEN1 (0.54) POLBKMT2AMEN1TDP1CA2
Hydrochloric Acid SCHEMBL4543647 0.72 MEN1 (0.54) POLBKMT2AMEN1TDP1CA2
Hydrochloric Acid SCHEMBL11729998 0.70 MEN1 (0.52) KMT2AMEN1TDP1CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357632-A1 IONIC LIQUID PEROVSKITE DEVICES CUBICPV INC. 2023-11-09 US disclosed
WO-2023215617-A1 IONIC LIQUID PEROVSKITE DEVICES CUBICPV INC. (US) 2023-11-09 WO disclosed
US-11008291-B2 Methods of forming carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-05-18 US disclosed
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2019-06-06 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-11008291-B2 Methods of forming carbene-functionalized composite materials VCL, CHN2, CA3 POLB 1790/4885KMT2A 3011/4885MEN1 570/4885
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials VCL, CHN2, CA3 POLB 1790/4885KMT2A 3011/4885MEN1 570/4885

“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.