Phenylpropyl Fumarate

Phenylpropyl Fumarate

SCHEMBL3482828

O=C(O)/C=C/C(=O)OCCCc1ccccc1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.81
AKR1B10 O60218 6/20 0.65
AKR1B1 P15121 6/20 0.65
LMNA P02545 1/20 0.60
ALOX5 P09917 1/20 0.56
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
MAOB P27338 1/20 0.52

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
Phenylpropyl Fumarate SCHEMBL3482832 1.00 HCAR2 (0.81) HCAR2AKR1B10AKR1B1LMNAALOX5
Phenylpropyl Fumarate SCHEMBL27216278 1.00 HCAR2 (0.81) HCAR2AKR1B10AKR1B1LMNAALOX5
SCHEMBL8708780 0.95 HCAR2 (0.72) HCAR2AKR1B10AKR1B1LMNAALOX5
SCHEMBL355844 0.95 HCAR2 (0.72) HCAR2AKR1B10AKR1B1LMNAALOX5
SCHEMBL355843 0.95 HCAR2 (0.72) HCAR2AKR1B10AKR1B1LMNAALOX5
SCHEMBL28500283 0.94 HCAR2 (0.77) HCAR2AKR1B10AKR1B1LMNAALOX5
Hydrochloric Acid SCHEMBL27349461 0.94 HCAR2 (0.77) HCAR2AKR1B10AKR1B1LMNAALOX5
Phenylethyl Fumarate SCHEMBL573379 0.90 HCAR2 (1.00) HCAR2AKR1B10AKR1B1LMNAALOX5
Phenylethyl Fumarate SCHEMBL573376 0.90 HCAR2 (1.00) HCAR2AKR1B10AKR1B1LMNAALOX5
Phenylethyl Fumarate SCHEMBL27750209 0.90 HCAR2 (1.00) HCAR2AKR1B10AKR1B1LMNAALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 EP disclosed
CN-113453762-A Pentacyclic heterocyclic compounds 卫材R&D管理有限公司 2021-09-28 CN disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer CHISSO CORPORATION (JP) 2005-01-13 US 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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH HCAR2 996/4885AKR1B10 894/4885AKR1B1 428/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH HCAR2 996/4885AKR1B10 894/4885AKR1B1 428/4885
US-20050009982-A1 Compound having silsesquioxane skeleton and its polymer C1S, H1-4, H1-0 HCAR2 2928/4885AKR1B10 2310/4885AKR1B1 1778/4885

“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.