SCHEMBL28042946

SCHEMBL28042946

COc1c2c(nc3ccccc13)O[C@@H](C(C)(C)O)C2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.79
▸ TSHR P16473 3/20 0.79
▸ LMNA P02545 2/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ THPO P40225 1/20 0.79
▸ STAT6 P42226 1/20 0.79
▸ BLM P54132 1/20 0.79
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ POLB P06746 1/20 0.45
▸ CTSV O60911 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
Dubinidine SCHEMBL29652222 0.88 CYP1A2 (1.00) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL29374386 0.83 MEN1 (1.00) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL30633046 0.72 LMNA (0.53) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL19407335 0.69 CYP1A2 (0.66) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL1408391 0.66 POLB (1.00) TSHRLMNAMEN1KMT2APOLB
SCHEMBL28063855 0.64 POLB (0.56) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL10286526 0.62 ACHE (0.65) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL2879866 0.62 POLB (0.68) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL5086577 0.62 POLB (0.61) CYP1A2TSHRLMNACYP3A4THPO
SCHEMBL9694998 0.60 POLB (0.70) CYP1A2LMNACYP3A4KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032448-A1 COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES KOH, Hwee Ling (SG) 2025-01-30 — — US disclosed
US-12144797-B2 Compound for use in the treatment and/or prevention of parasitic mediated diseases KOH, Hwee Ling (SG) 2024-11-19 — — US disclosed
CN-110463468-A One kind, which has, prevents and treats dermopathic Chinese herbal medicine plant training system and device HUNAN JIUCENGTAI ENVIRONMENT TECH CO LTD 2019-11-19 — — CN disclosed
CN-105418729-A Limonin compound for treating chronic granulocytic leukemia and preparation method thereof WU JINFENG 2016-03-23 — — CN disclosed
CN-105153263-A New limonin compound as well as preparation method and medical application thereof ZHOU WUXIAN 2015-12-16 — — CN 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-12144797-B2 Compound for use in the treatment and/or prevention of parasitic mediated diseases ICMT, ALG3, PFN1 CYP1A2 123/4885TSHR 4854/4885LMNA 88/4885
US-20250032448-A1 COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES EPX, PKD2, MPO CYP1A2 302/4885TSHR 2855/4885LMNA 1112/4885

“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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