SCHEMBL9808693

SCHEMBL9808693

CC(C)(O)C(=O)c1ccc(CCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.57
CYP4F2 P78329 2/20 0.51
PPARA Q07869 2/20 0.51
CA2 P00918 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RARB P10826 5/20 0.41
PLK1 P53350 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
ESRRG P62508 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
SCHEMBL154857 0.89 CYP4A11 (0.50) CYP4A11CYP4F2PPARACA2PLK1
SCHEMBL25867921 0.87 CYP4A11 (0.59) CYP4A11CYP4F2PPARACA2HSD17B10
SCHEMBL3687860 0.87 PLK1 (0.41) CYP4A11CA2HSD17B10RARBPLK1
SCHEMBL195630 0.86 RARB (0.57) HSD17B10RARBPLK1THRATHRB
SCHEMBL9808660 0.84 ESR1 (0.45) CYP4A11CYP4F2HSD17B10RARBPLK1
SCHEMBL151548 0.83 THRA (0.59) RARBTHRATHRB
SCHEMBL6692949 0.83 THRA (0.59) RARBTHRATHRB
SCHEMBL10712859 0.83 THRA (0.59) RARBTHRATHRB
SCHEMBL10713905 0.83 THRA (0.59) RARBTHRATHRB
Monoethanolamine SCHEMBL3973136 0.83 CYP4A11 (0.45) CYP4A11CYP4F2PPARACA2ESRRG

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
US-5045573-A Alkanophenones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 US claimed
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP claimed
EP-0216884-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS. MERCK PATENT GMBH (DE) 1987-04-08 EP claimed
WO-1986005777-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO claimed
WO-1986005778-A1 PHOTO-INITIATORS FOR PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO claimed
US-20230231142-A1 FUNCTIONALIZED CROSS-LINKED POLYMER NETWORKS, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-07-20 US disclosed
CN-107531904-B Polyimide precursor, and liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element containing the same 日产化学工业株式会社 2020-10-30 CN disclosed
EP-2935289-B1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS IGM GROUP B V (NL) 2019-06-26 EP disclosed
EP-3459957-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS IGM Group B.V. (NL) 2019-03-27 EP disclosed
US-10040810-B2 Derivatives of bisacylphosphinic acid, their preparation and use as photoinitiators BASF SE (DE) 2018-08-07 US disclosed
US-20160039851-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS IGM GROUP B.V. (NL) 2016-02-11 US disclosed
EP-2935289-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS BASF SE (DE) 2015-10-28 EP disclosed
WO-2014095724-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS BASF SE (DE) 2014-06-26 WO disclosed
EP-1793281-B1 Toner composition and method XEROX CORP (US) 2009-02-18 EP disclosed
US-5045573-A Alkanophenones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 US disclosed
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP disclosed
US-4861916-A Photoinitiators for photopolymerization of unsaturated systems MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-08-29 US disclosed
EP-0216884-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS. MERCK PATENT GMBH (DE) 1987-04-08 EP disclosed
WO-1986005778-A1 PHOTO-INITIATORS FOR PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed
WO-1986005777-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 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 (2 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-20160039851-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS ARSA, ACSL6, RER1 CYP4A11 3210/4885CYP4F2 1797/4885PPARA 256/4885
US-10040810-B2 Derivatives of bisacylphosphinic acid, their preparation and use as photoinitiators ARSA, RER1, ACSL6 CYP4A11 3370/4885CYP4F2 2192/4885PPARA 528/4885

“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.