SCHEMBL6503664

SCHEMBL6503664

CCOC(=O)c1[nH]ccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 5/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ADORA3 P0DMS8 2/20 0.48
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL15497046 0.85 PRKCZ (0.51) ALDH1A1HPGDALOX15KDM4EKMT2A
SCHEMBL16828410 0.85 PRKCZ (0.51) ALDH1A1HPGDTSHRGAAKDM4E
SCHEMBL16007019 0.82 HTT (0.54) ALDH1A1HPGDTSHRGAAKMT2A
SCHEMBL26111532 0.79 LMNA (0.50) ALDH1A1HPGDHSD17B10TSHRGAA
SCHEMBL27699148 0.78 ALDH1A1 (0.58) ALDH1A1HPGDALOX15HSD17B10ADORA3
SCHEMBL2807587 0.78 ALDH1A1 (0.58) ALDH1A1HPGDALOX15HSD17B10ADORA3
SCHEMBL1126782 0.77 ALDH1A1 (0.51) ALDH1A1HPGDALOX15HSD17B10ADORA3
SCHEMBL1149707 0.76 KDM4E (0.47) ALDH1A1HPGDTSHRGAAKDM4E
SCHEMBL7791409 0.76 MAPT (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3493726 0.76 TSHR (0.58) ALDH1A1HPGDALOX15HSD17B10TSHR

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-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY THERAPEUTICS, LLC (US) 2025-11-04 — — US disclosed
CN-119841760-A Preparation method of pyrrole-2-carboxylate C5-site methylation 湖北科技学院 2025-04-18 — — CN disclosed
CN-119365460-A Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases 尚医治疗有限责任公司 2025-01-24 — — CN disclosed
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2024-10-31 — — US disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 — — 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 (3 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885HPGD 664/4885ALOX15 777/4885
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease KRAS, HRAS, NRAS ALDH1A1 2587/4885HPGD 2000/4885ALOX15 2206/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS ALDH1A1 2587/4885HPGD 2000/4885ALOX15 2206/4885

“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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