SCHEMBL166581

SCHEMBL166581

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
AKR1C1 Q04828 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAP4K4 O95819 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD11B1 P28845 2/20 0.42
MLYCD O95822 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14125390 0.90 APP (0.44) APPCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL301150 0.87 APP (0.61) APPCYP2C9CYP2C19CYP3A4AKR1C1
SCHEMBL2701756 0.84 ALOX5 (0.49) ALDH1A1LMNATSHRNPSR1HDAC3
SCHEMBL1627580 0.83 AKR1C1 (0.68) CYP2C9CYP2C19ALDH1A1AKR1C1LMNA
SCHEMBL988946 0.83 AKR1C1 (0.62) APPCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1421838 0.83 AKR1C1 (0.68) APPCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL196949 0.82 POLB (0.56) CYP2C9CYP2C19ALDH1A1AKR1C1LMNA
SCHEMBL22090138 0.82 HDAC1 (0.53) APPCYP2C9CYP2C19ALDH1A1AKR1C1
SCHEMBL2325209 0.82 HDAC1 (0.55) CYP2C9CYP2C19ALDH1A1AKR1C1LMNA
SCHEMBL1625869 0.82 MAP4K4 (0.61) ALDH1A1AKR1C1LMNATSHRNPSR1

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-4642782-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF Pliant Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. 2024-07-25 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
CN-113979977-A Hexa-membered oxygen heterocyclic compound and synthetic method thereof 上海麦克林生化科技有限公司 2022-01-28 CN disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
EP-2344497-B1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2014-03-05 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
EP-2344497-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2011-07-20 EP disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
WO-2010031183-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-03-25 WO disclosed
WO-2010031184-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-03-25 WO disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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 (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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN APP 2779/4885CYP2C9 974/4885CYP2C19 695/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN APP 2779/4885CYP2C9 974/4885CYP2C19 695/4885
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF ITGB8, ITGAV, ITGA8 APP 3219/4885CYP2C9 3043/4885CYP2C19 4418/4885
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR APP 3060/4885CYP2C9 1320/4885CYP2C19 734/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 APP 2616/4885CYP2C9 1534/4885CYP2C19 1564/4885

“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.