SCHEMBL945650

SCHEMBL945650

ClC(Cl)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
DPP4 P27487 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL16933742 0.97
SCHEMBL7942675 0.84
SCHEMBL8137257 0.78 TP53 (0.36)
SCHEMBL11702171 0.78 CYP1A2 (0.37) CYP1A2CTSK
SCHEMBL16934238 0.76 TP53 (0.32) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL11700253 0.76 EPHX1 (0.37) CYP1A2EPHX1
SCHEMBL11700781 0.76 EPHX1 (0.37) CYP1A2EPHX1
SCHEMBL11813116 0.74
SCHEMBL11743504 0.74 SHBG (0.41) CYP1A2DPP4CTSK
SCHEMBL4201257 0.72 CTSK (0.33) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
EP-2097408-A1 IMPROVED PROCESS FOR EPROSARTAN Hetero Drugs Limited (IN) 2009-09-09 EP disclosed
WO-2008078330-A1 IMPROVED PROCESS FOR EPROSARTAN HETERO DRUGS LIMITED (IN) 2008-07-03 WO disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
EP-0970073-B1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2004-10-27 EP disclosed
EP-0970073-A4 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2001-01-24 EP disclosed
US-6172237-B1 Process for preparing eprosartan SMITHKLINE BEECHAM CORPORATION 2001-01-09 US disclosed
EP-0970073-A1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORPORATION (US) 2000-01-12 EP disclosed
WO-1998035963-A1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORPORATION (US) 1998-08-20 WO disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD CHRM5 2336/4885CYP1A2 214/4885ADRA2C 2048/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CHRM5 3418/4885CYP1A2 195/4885ADRA2C 4639/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CHRM5 3513/4885CYP1A2 183/4885ADRA2C 4652/4885

“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.