SCHEMBL18968624

SCHEMBL18968624

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)[n+](C)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.77
▸ NPSR1 Q6W5P4 9/20 0.77
▸ KMT2A Q03164 7/20 0.77
▸ MITF O75030 6/20 0.77
▸ HTT P42858 6/20 0.77
▸ MEN1 O00255 6/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ LMNA P02545 5/20 0.77
▸ TP53 P04637 2/20 0.77
▸ NPC1 O15118 2/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ MAPT P10636 7/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ ALDH1A1 P00352 4/20 0.69
▸ NTSR1 P30989 2/20 0.60
▸ XBP1 P17861 3/20 0.60
▸ APAF1 O14727 1/20 0.60
▸ HCRTR1 O43613 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ IDE P14735 1/20 0.58

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
SCHEMBL26812164 1.00 MAPK1 (0.77) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18969198 1.00 MAPK1 (0.77) MAPK1NPSR1KMT2AMITFHTT
Iodide SCHEMBL29603380 0.99 MAPK1 (0.76) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18968682 0.91 MAPK1 (0.81) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18969932 0.90 MAPK1 (0.81) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18968617 0.90 MAPK1 (0.81) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18968683 0.89 MAPK1 (0.83) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18969964 0.89 MAPK1 (0.83) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL26812174 0.89 MAPK1 (0.82) MAPK1NPSR1KMT2AMITFHTT
SCHEMBL18968670 0.88 MAPK1 (0.98) MAPK1NPSR1KMT2AMITFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355647-A1 Marker for determining anti-cancer effects of mitochondrial oxidative phosphorylation pathway inhibitor NANJING SHIJIANG MEDICINE TECHNOLOGY CO., LTD (CN) 2023-11-09 — — US disclosed
WO-2017100525-A1 SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-15 — — WO 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-20230355647-A1 Marker for determining anti-cancer effects of mitochondrial oxidative phosphorylation pathway inhibitor SHMT2, UHRF1, SHMT1 MAPK1 533/4885NPSR1 4308/4885KMT2A 382/4885

“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.

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