SCHEMBL2325209

SCHEMBL2325209

O=C(O)C1(c2ccc(Br)cc2)CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.49
▸ AKR1C1 Q04828 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CYP2C19 P33261 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
Hydrochloric Acid SCHEMBL16494712 0.98 HDAC1 (0.53) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL2221 0.87 AKR1C1 (0.55) HDAC1ALDH1A1AKR1C1TSHRCYP2C19
SCHEMBL3910628 0.85 AKR1C1 (0.53) HDAC1ALDH1A1AKR1C1TSHRCYP2C19
SCHEMBL15349227 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966550 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL15136091 0.83 HDAC1 (0.60) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966557 0.83 AKR1C1 (0.68) HDAC1ALDH1A1AKR1C1LMNATSHR
Water SCHEMBL3910626 0.83 AKR1C1 (0.52) HDAC1ALDH1A1AKR1C1TSHRCYP2C19
SCHEMBL1627580 0.83 AKR1C1 (0.68) HDAC1ALDH1A1AKR1C1LMNATSHR
SCHEMBL1492737 0.83 AKR1C1 (0.62) HDAC1ALDH1A1AKR1C1TSHRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 — — EP disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 — — WO 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
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-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 — — US disclosed
US-9174980-B2 Heterocyclic compounds as inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-03 — — US disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 — — EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 — — EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US 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
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — WO disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 — — US disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 — — EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — 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 (3 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S HDAC1 1448/4885HDAC3 1912/4885HDAC7 3280/4885
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL HDAC1 346/4885HDAC3 533/4885HDAC7 936/4885
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A HDAC1 129/4885HDAC3 225/4885HDAC7 998/4885

“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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