SCHEMBL1314552

SCHEMBL1314552

COC(=O)c1ccc(C#CCCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.55
CYP4F2 P78329 2/20 0.54
POLB P06746 1/20 0.51
PTPN11 Q06124 2/20 0.49
MAPT P10636 3/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 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
SCHEMBL20046104 0.95 CYP4A11 (0.56) CYP4A11CYP4F2POLBPTPN11MAPT
SCHEMBL3458276 0.90 PTPN11 (0.51) CYP4A11CYP4F2POLBPTPN11MAPT
SCHEMBL22032169 0.84 GABRA1 (0.46) CYP4A11CYP4F2PTPN11GABRPGABRD
SCHEMBL4990465 0.83 MMP2 (0.54) CYP4A11CYP4F2POLBPTPN11MAPT
SCHEMBL16799629 0.82 CYP4A11 (0.55) CYP4A11CYP4F2POLBPTPN11PTPN2
SCHEMBL31753430 0.82 CYP4A11 (0.55) CYP4A11CYP4F2POLBPTPN11PTPN2
SCHEMBL2402609 0.81 MMP2 (0.59) PTPN11MAPTMMP2MMP12PTPN2
SCHEMBL22906952 0.81 PTPN11 (0.40) CYP4A11PTPN11GABRPGABRDGABRA1
SCHEMBL1314738 0.80 MMP2 (0.49) PTPN11GABRPGABRDGABRA1GABRB1
SCHEMBL16182177 0.80 PTPN11 (0.54) CYP4A11PTPN11MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692061-A1 LOW-MOLECULAR-WEIGHT COMPOUND HAVING CEREBLON-BINDING ACTIVITY, AND USE THEREOF Aevis Bio, Inc. (KR) 2026-02-11 EP disclosed
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed
EP-4667467-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 EP disclosed
WO-2024205319-A1 LOW-MOLECULAR-WEIGHT COMPOUND HAVING CEREBLON-BINDING ACTIVITY, AND USE THEREOF 주식회사 아이비스바이오 2024-10-03 WO disclosed
US-20230091810-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2023-03-23 US disclosed
US-11384084-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2022-07-12 US disclosed
US-20210047332-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY 2021-02-18 US disclosed
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-10793573-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-10-06 US disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
WO-2011143106-A1 BI - FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
EP-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
EP-0325343-B1 L-glutamic acid derivatives UNIV PRINCETON (US) 1994-06-22 EP disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed
US-4871743-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed
EP-0325343-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-26 EP disclosed
EP-0314280-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-03 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 (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-20210047332-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS MTHFD1, SHMT1, SHMT2 CYP4A11 799/4885CYP4F2 39/4885POLB 2172/4885
US-11384084-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents MTHFD1, SHMT1, SHMT2 CYP4A11 799/4885CYP4F2 39/4885POLB 2172/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 CYP4A11 494/4885CYP4F2 227/4885POLB 2585/4885
US-20230091810-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS MTHFD1, SHMT1, SHMT2 CYP4A11 816/4885CYP4F2 37/4885POLB 2204/4885
US-10793573-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents SHMT2, MTHFD1, SHMT1 CYP4A11 1171/4885CYP4F2 133/4885POLB 2208/4885

“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.