SCHEMBL440124

SCHEMBL440124

Cc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
KCNH2 Q12809 2/20 0.42
CA1 P00915 2/20 0.42
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
FFAR1 O14842 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL716385 0.98 GRM5 (0.54) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL1306384 0.89 GABRA1 (0.38) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL1306505 0.87 APP (0.41) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL27134342 0.84 CYP19A1 (0.49) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL27134344 0.84 GRM5 (0.39) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL12223988 0.84 GRM5 (0.36) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL20717546 0.84 GRM5 (0.45) GRM5ALDH1A1CYP2A6CA12CA2
SCHEMBL2854252 0.82 CYP1A1 (0.44) GRM5KCNH2GABRA1GABRG2GABRB3
SCHEMBL19174201 0.80 CYP1A1 (0.48) GRM5MAPTGABRA1GABRG2GABRB3
SCHEMBL5015445 0.79 PTGS2 (0.42) GRM5ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119117-A Method for preparing alkynyl phosphonate by mechanochemical method 贵州民族大学 2024-12-13 CN disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
CN-116444483-A Preparation method of 1,3-dithiane substituted diene derivative 兰州大学 2023-07-18 CN disclosed
CN-111961052-B Preparation method of gamma-carboline derivative 沈阳师范大学 2022-06-03 CN disclosed
CN-107459438-B Novel practical nonmetal-catalyzed silica-based deprotection method 台州学院 2020-09-01 CN disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20150144927-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE NATIONAL UNIVERSITY CORPORATION YAMAGATA UNIVERSITY (JP) 2015-05-28 US disclosed
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 US disclosed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 US disclosed
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 US disclosed
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S 2007-03-08 US disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP 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 (7 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-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO GRM5 2061/4885ALDH1A1 1570/4885CYP2A6 1097/4885
US-20150144927-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, CORO1A, CORO1C GRM5 1650/4885ALDH1A1 232/4885CYP2A6 2679/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO GRM5 2061/4885ALDH1A1 1570/4885CYP2A6 1097/4885
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 GRM5 131/4885ALDH1A1 4691/4885CYP2A6 4280/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 GRM5 1126/4885ALDH1A1 2121/4885CYP2A6 485/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO GRM5 2061/4885ALDH1A1 1570/4885CYP2A6 1097/4885
US-20070055060-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO GRM5 2061/4885ALDH1A1 1570/4885CYP2A6 1097/4885

“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.