SCHEMBL2384832

SCHEMBL2384832

O=C(O)C1(c2ccc(Br)cc2)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 1/20 0.66
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC4 P56524 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 2/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAP4K4 O95819 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
SCHEMBL9966557 0.98 AKR1C1 (0.68) AKR1C1HDAC1HDAC4MEN1KMT2A
Hydrochloric Acid SCHEMBL28915897 0.96 AKR1C1 (0.66) AKR1C1HDAC1HDAC4MEN1KMT2A
SCHEMBL1492737 0.94 AKR1C1 (0.62) AKR1C1HDAC1HDAC4MEN1KMT2A
SCHEMBL2221 0.90 AKR1C1 (0.55) AKR1C1HDAC1MEN1KMT2ATSHR
SCHEMBL3910628 0.88 AKR1C1 (0.53) AKR1C1HDAC1MEN1KMT2ATSHR
Water SCHEMBL3910626 0.86 AKR1C1 (0.52) AKR1C1HDAC1MEN1KMT2ATSHR
SCHEMBL4770404 0.84 HDAC1 (0.53) AKR1C1HDAC1HDAC4MEN1KMT2A
SCHEMBL14790445 0.83 HDAC1 (0.51) AKR1C1HDAC1HDAC4MEN1KMT2A
SCHEMBL29604970 0.83 LMNA (0.55) AKR1C1HDAC1HDAC4MEN1KMT2A
SCHEMBL4804303 0.83 HDAC1 (0.51) AKR1C1HDAC1HDAC4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12521395-B2 Gem-disubstituted heterocyclic compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2026-01-13 — — US disclosed
EP-4055015-B1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-04-02 — — EP disclosed
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 — — US disclosed
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 — — US disclosed
EP-4055015-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2022-09-14 — — EP disclosed
CN-115038700-A Gem disubstituted heterocyclic compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2022-09-09 — — CN disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 — — US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 — — US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 — — EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 — — EP disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — WO disclosed
US-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME Dongjin Semichem Co., Ltd., (KR) 2011-09-29 — — US disclosed
WO-2010071335-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-06-24 — — WO disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 — — US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 — — US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 — — US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 — — US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 — — EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 — — 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 AKR1C1 2816/4885HDAC1 6/4885HDAC4 25/4885
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 AKR1C1 211/4885HDAC1 1/4885HDAC4 9/4885
US-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME HCK, NLK, VRK1 AKR1C1 2328/4885HDAC1 3874/4885HDAC4 4287/4885
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S AKR1C1 145/4885HDAC1 1448/4885HDAC4 3139/4885
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A AKR1C1 1094/4885HDAC1 129/4885HDAC4 1135/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 AKR1C1 2816/4885HDAC1 6/4885HDAC4 25/4885

“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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