SCHEMBL20610759

SCHEMBL20610759

COc1ccc(CCC(=O)CCCBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 1/20 0.68
▸ POLB P06746 1/20 0.55
▸ ALOX5 P09917 1/20 0.53
▸ FFAR1 O14842 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ FKBP1A P62942 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SLC5A1 P13866 1/20 0.50
▸ SLC5A2 P31639 1/20 0.50
▸ CALM1 P0DP23 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL20221724 0.85 F2RL1 (0.70) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL20610768 0.85 F2RL1 (0.70) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL9216095 0.85 F2RL1 (0.74) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL20632059 0.84 F2RL1 (0.64) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL20610767 0.84 F2RL1 (0.68) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL26751570 0.83 F2RL1 (0.72) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL20632919 0.83 F2RL1 (0.62) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL9664592 0.83 F2RL1 (0.66) F2RL1POLBALOX5FFAR1ALDH1A1
SCHEMBL8585437 0.83 F2RL1 (0.66) F2RL1POLBALOX5

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 19 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-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-2019010363-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 — — WO disclosed
WO-2019009956-A1 FE/CU-MEDIATED KETONE SYNTHESIS 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 (6 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 4391/4885POLB 2509/4885ALOX5 2165/4885
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH F2RL1 4391/4885POLB 2509/4885ALOX5 2165/4885
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH F2RL1 4391/4885POLB 2509/4885ALOX5 2165/4885
US-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 F2RL1 4323/4885POLB 1648/4885ALOX5 2534/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4305/4885POLB 1606/4885ALOX5 2560/4885
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4314/4885POLB 1589/4885ALOX5 2631/4885

“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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