SCHEMBL827636

SCHEMBL827636

O=C(O)C[C]1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B1 P15121 1/20 0.35
GAA P10253 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
ABCC4 O15439 1/20 0.34
PTGS1 P23219 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR3 O14843 1/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RGS12 O14924 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6928359 1.00 POLB (0.42) POLBCA2CAMK2AALDH1A1KMT2A
SCHEMBL6946769 1.00 POLB (0.42) POLBCA2CAMK2AALDH1A1KMT2A
SCHEMBL9781967 0.97
SCHEMBL10663300 0.92
SCHEMBL3043655 0.85
SCHEMBL27861148 0.76 CA2 (0.39) CA2ALDH1A1KMT2ATSHRHTT
SCHEMBL7976967 0.76 POLB (0.32) POLBALDH1A1KMT2AHTTTDP1
SCHEMBL10721635 0.74 POLB (0.39) POLBCA2CAMK2AALDH1A1AKR1B1
SCHEMBL10665467 0.74 FFAR1 (0.42) CA2ALDH1A1LMNATHRATHRB
SCHEMBL3608741 0.72 FFAR1 (0.41) CA2ALDH1A1LMNATHRATHRB

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 192 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116135229-A Application of hypocrellin-containing derivative with both peri-position and 2-position being simultaneously substituted in preparation of photodynamic anti-tumor drugs 中国科学院理化技术研究所 2023-05-19 CN claimed
EP-3680230-B1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF TECHNICAL INST OF PHYSICS AND CHEMISTRY OF THE CHINESE ACADEMY OF SCIENCES (CN) 2022-11-02 EP claimed
US-20210145968-A1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2021-05-20 US claimed
CN-109456210-B Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof 中国科学院理化技术研究所 2020-09-25 CN claimed
EP-3680230-A1 DERIVATIVES OF HYPOCRELLIN WITH PERI-POSITION AND 2-POSITION SIMULTANEOUSLY SUBSTITUTED BY AMINO GROUPS Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2020-07-15 EP claimed
CN-109456210-A Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof 中国科学院理化技术研究所 2019-03-12 CN claimed
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US claimed
CN-102186830-A New benzimidazole derivatives HOFFMANN LA ROCHE 2011-09-14 CN claimed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP claimed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO claimed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 US claimed
EP-4328276-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-02-28 EP disclosed
EP-4328275-A1 ANTI-FOULING COATING MATERIAL COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-02-28 EP disclosed
EP-4328274-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-02-28 EP disclosed
EP-4306599-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-01-17 EP disclosed
EP-0861247-B1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2009-10-07 EP disclosed
CN-1675180-A Indole, indazole, and benzazole derivative SUMITOMO PHARMA (JP) 2005-09-28 CN disclosed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP disclosed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 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 (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-20210145968-A1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF HCCS, PPOX, AAAS POLB 1296/4885CA2 382/4885CAMK2A 2902/4885
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 POLB 2846/4885CA2 1174/4885CAMK2A 3465/4885

“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.