SCHEMBL25192531

SCHEMBL25192531

COc1cc(-c2nc3ccccc3o2)cc(OC)c1C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.68
▸ PTGS2 P35354 1/20 0.52
▸ MAPT P10636 7/20 0.50
▸ POLB P06746 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ PTPN2 P17706 2/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ PTPN5 P54829 2/20 0.48
▸ HPGD P15428 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ USP2 O75604 3/20 0.46
▸ TSHR P16473 3/20 0.46

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
SCHEMBL30842503 1.00 NPC1 (0.68) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL25195617 0.91 NPC1 (0.61) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL31164530 0.91 NPC1 (0.61) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL5832496 0.84 NPC1 (0.74) NPC1PTGS2MAPTTDP1KDM4E
SCHEMBL30842485 0.84 NPC1 (0.73) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL13439422 0.84 NPC1 (0.73) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL11326116 0.83 NPC1 (0.72) NPC1PTGS2MAPTPOLBTDP1
SCHEMBL30842529 0.83 NPC1 (0.47) NPC1MAPTPOLBKDM4EALDH1A1
SCHEMBL30842499 0.83 NPC1 (0.47) NPC1MAPTPOLBKDM4EALDH1A1
SCHEMBL28436509 0.81 NPC1 (1.00) NPC1PTGS2MAPTPOLBKDM4E

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-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA BOSTON INC. 2025-05-01 — — US disclosed
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 — — EP disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — 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-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF AHR, ARNT, NR1H2 NPC1 2001/4885PTGS2 699/4885MAPT 4822/4885

“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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