SCHEMBL852452

SCHEMBL852452

COc1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL29636414 1.00 GRM5 (0.49) GRM5CA1CA2CA7CA9
SCHEMBL3846189 0.86 ALDH1A1 (0.41) GRM5CA1CA2CA7CA9
SCHEMBL21331550 0.85 ALDH1A1 (0.43) GRM5CA1CA2CA7CA9
SCHEMBL30022461 0.83 CA1 (0.60) GRM5CA1CA2CA7CA9
SCHEMBL4214499 0.83 CA1 (0.60) GRM5CA1CA2CA7CA9
SCHEMBL2289638 0.80 ALDH1A1 (0.36) GRM5CA1CA2CA7CA9
SCHEMBL3839029 0.80 KDM4E (0.49) GRM5ALDH1A1TSHRMEN1KMT2A
SCHEMBL5134514 0.77 DYRK1A (0.42) GRM5ALDH1A1TSHRMEN1KMT2A
SCHEMBL8768302 0.77 CA1 (0.52) GRM5CA1CA2CA7CA9
SCHEMBL31546692 0.77 MCHR1 (0.38) ALDH1A1ADRA2BTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182513-A1 A WATERPROOFING FORMULATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-09-26 WO claimed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
CN-111961052-B Preparation method of gamma-carboline derivative 沈阳师范大学 2022-06-03 CN disclosed
EP-3749674-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-16 EP disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-11-26 US disclosed
CN-111961052-A Preparation method of gamma-carboline derivative 沈阳师范大学 2020-11-20 CN disclosed
WO-2019182513-A1 A WATERPROOFING FORMULATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-09-26 WO disclosed
WO-2019157376-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-15 WO disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 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 (5 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-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS SARS1, TPI1, TPMT GRM5 2206/4885CA1 3049/4885CA2 1782/4885
US-20200369697-A1 MOLYBDENUM OXO ALKYLIDENE COMPOUNDS, METHODS OF MAKING THE SAME AND USE THEREOF IN METATHESIS REACTIONS MSRB3, MMAB, CYB5R3 GRM5 2600/4885CA1 2956/4885CA2 1952/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 GRM5 600/4885CA1 3680/4885CA2 3091/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 GRM5 554/4885CA1 4003/4885CA2 3321/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 GRM5 570/4885CA1 3670/4885CA2 3023/4885

“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.