SCHEMBL20610767

SCHEMBL20610767

COc1ccc(CCC(=O)CCCCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.68
▸ FFAR1 O14842 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ ALOX5 P09917 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SLC5A1 P13866 1/20 0.50
▸ SLC5A2 P31639 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CALM1 P0DP23 1/20 0.49
▸ SMN1; SMN2 Q16637 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
SCHEMBL7329940 0.88 F2RL1 (0.85) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL20221726 0.87 F2RL1 (0.52) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL20221724 0.85 F2RL1 (0.70) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL20610768 0.85 F2RL1 (0.70) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL7371103 0.85 HTT (0.53) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL9096140 0.85 F2RL1 (0.74) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL20610759 0.84 F2RL1 (0.68) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL9664592 0.83 F2RL1 (0.66) F2RL1FFAR1POLBALOX5ALDH1A1
SCHEMBL8585437 0.83 F2RL1 (0.66) F2RL1POLBALOX5
SCHEMBL24800806 0.81 F2RL1 (0.74) F2RL1FFAR1ALOX5ALDH1A1NPC1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515685-A Synthesis of halichondrin 哈佛大学的校长及成员们 2024-08-20 — — CN disclosed
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2023-10-26 — — US disclosed
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 — — US disclosed
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 — — US disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 — — US disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 — — US disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 — — US disclosed
EP-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 — — EP disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 — — US disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 — — US disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 — — EP disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 — — EP disclosed
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-29 — — US disclosed
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-29 — — US disclosed
US-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-17 — — US disclosed
CN-111433211-A Synthesis of halichondrin 哈佛大学的校长及成员们 2020-07-17 — — CN disclosed
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS President and Fellows of Flarvard College (US) 2020-05-28 — — US disclosed
EP-3649135-A1 SYNTHESIS OF HALICHONDRINS President and Fellows of Harvard College (US) 2020-05-13 — — EP disclosed
WO-2019009956-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 — — WO disclosed
WO-2019010363-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 — — 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 (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-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH F2RL1 4391/4885FFAR1 3087/4885POLB 2509/4885
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH F2RL1 4391/4885FFAR1 3087/4885POLB 2509/4885
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH F2RL1 4391/4885FFAR1 3087/4885POLB 2509/4885
US-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 F2RL1 4323/4885FFAR1 4379/4885POLB 1648/4885
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B F2RL1 1908/4885FFAR1 4727/4885POLB 1490/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4305/4885FFAR1 4398/4885POLB 1606/4885
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4314/4885FFAR1 4372/4885POLB 1589/4885

“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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