SCHEMBL9057595

SCHEMBL9057595

CCOC(=O)/C(C#N)=C/c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
MAPT P10636 7/20 0.60
TP53 P04637 3/20 0.60
THRB P10828 2/20 0.57
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
KDM4E B2RXH2 3/20 0.54
RECQL P46063 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MIF P14174 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL14969375 1.00 POLB (1.00) POLBTDP1MAPTTP53THRB
SCHEMBL9057598 1.00 POLB (1.00) POLBTDP1MAPTTP53THRB
SCHEMBL17465997 0.87 POLB (0.77) POLBTDP1MAPTTP53THRB
SCHEMBL17465797 0.85 POLB (0.73) POLBTDP1MAPTTP53THRB
SCHEMBL17466009 0.84 POLB (0.73) POLBTDP1MAPTTP53THRB
SCHEMBL1176560 0.84 POLB (0.72) POLBTDP1MAPTTHRBALDH1A1
SCHEMBL1176559 0.84 POLB (0.72) POLBTDP1MAPTTHRBALDH1A1
SCHEMBL11781592 0.81 POLB (0.68) POLBTDP1MAPTALDH1A1KMT2A
SCHEMBL22697045 0.80 POLB (0.66) POLBTDP1MAPTALDH1A1KMT2A
SCHEMBL11097975 0.80 POLB (0.66) POLBTDP1MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014292-A1 PROCESS FOR THE PURIFICATION OF A NON-ENOLISABLE ESTER WITH A METALLIC REAGENT SELECTED FROM A METAL, A METAL OXIDE OR A METAL HYDRIDE SALDANE LIMITED (IE) 1996-05-17 WO claimed
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-9410035-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2016-08-09 US disclosed
US-9410035-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2016-08-09 US disclosed
US-20160024289-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY 2016-01-28 US disclosed
US-20160024289-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY 2016-01-28 US disclosed
WO-2016014122-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY (US) 2016-01-28 WO disclosed
EP-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
WO-1996014292-A1 PROCESS FOR THE PURIFICATION OF A NON-ENOLISABLE ESTER WITH A METALLIC REAGENT SELECTED FROM A METAL, A METAL OXIDE OR A METAL HYDRIDE SALDANE LIMITED (IE) 1996-05-17 WO disclosed
WO-1995032183-A1 PROCESS FOR THE PREPARATION OF 2-CYANOACRYLOYL CHLORIDE AND USE OF THE COMPOUND SO PREPARED FOR THE PREPARATION OF ESTERS OF 2-CYANOACRYLIC ACID SALDANE LIMITED (IE) 1995-11-30 WO disclosed
US-4749772-A POLYESTER REACTED WITH CYANO(METH)ACRYLATE SUBSTITUTED WITH FURANYL OR THIENYL EASTMAN KODAK COMPANY (US) 1988-06-07 US disclosed
US-4049662-A HYPOTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-4016277-A ANTIHYPERTENSIVE AGENTS AND CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-4004014-A VASODILATION, HYPOTENSIVE, ANTIARRHYTHMIA, SPASMOLYTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-3988458-A HYPOTENSIVE, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3959474-A 2,6-Diamino-1,4-dihydropyridine-3,5-dicarboxylic acid esters used as coronary vessel dilators and anti-hypertensive agents BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3957998-A ADMINISTERING BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3950336-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (1 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-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 POLB 4278/4885TDP1 484/4885MAPT 85/4885

“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.