SCHEMBL5470587

SCHEMBL5470587

OCCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 2/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TBXAS1 P24557 1/20 0.42
HTR2A P28223 3/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL5470592 1.00 PAM (0.50) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL5462356 0.94 PAM (0.48) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL5462355 0.94 PAM (0.48) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL9678691 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL9226025 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL3336217 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL9678704 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL5477171 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
SCHEMBL5477174 0.92 PAM (0.47) PAMSIGMAR1IDO1HDAC3HDAC4
Butadiene SCHEMBL28387038 0.87 PAM (0.43) PAMSIGMAR1IDO1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4780281-A REDUCTION OF S-PHENYL-4-PENTENYL-HYDROPEROXIDE TO S-PHENYL-4-PENTENOL WAYNE STATE UNIVERSITY (US) 1988-10-25 US claimed
CN-117486836-A Preparation method of 2-aryl-3-carbonyl substituted tetrahydrofuran and tetrahydropyran compound 遵义医科大学 2024-02-02 CN disclosed
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
CN-108084125-B Benzoheterocyclylalkylamines and their use 华东理工大学 2020-08-18 CN disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
EP-3546454-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF East China University of Science and Technology (CN) 2019-10-02 EP disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed
EP-0268229-B1 IMIDAZOLIDINONE COMPOUNDS, PROCESSES FOR PREPARATION THEREOF, COMPOSITIONS COMPRISING SUCH COMPOUNDS, AND THE USE OF SUCH COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS HAVING THERAPEUTIC VALUE TANABE SEIYAKU CO., LTD. (JP) 1992-07-08 EP disclosed
US-4886817-A Imidazolidinones as brain activators TANABE SEIYAKU CO., LTD. (JP) 1989-12-12 US disclosed
US-4780281-A REDUCTION OF S-PHENYL-4-PENTENYL-HYDROPEROXIDE TO S-PHENYL-4-PENTENOL WAYNE STATE UNIVERSITY (US) 1988-10-25 US disclosed
EP-0268229-A2 Imidazolidinone compounds, processes for preparation thereof, compositions comprising such compounds, and the use of such compounds for the manufacture of medicaments having therapeutic value TANABE SEIYAKU CO., LTD. (JP) 1988-05-25 EP disclosed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US disclosed
CN-85107235-A As the replacement cinnamyl-2 of anti-inflammatory agent, the manufacture method of 3-Dihydrobenzofuranes and analogue 1987-04-01 CN disclosed
EP-0099692-B1 NEW FURANONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-18 EP disclosed
US-4585789-A ALDOSE REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0099692-A1 New furanone derivatives, process for the preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-01 EP disclosed
US-4219489-A Synthesis of steroids THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1980-08-26 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 (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-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof AADAC, AAAS, NISCH PAM 767/4885SIGMAR1 2304/4885IDO1 624/4885
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF AADAC, AAAS, NISCH PAM 767/4885SIGMAR1 2304/4885IDO1 624/4885

“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.