SCHEMBL95107

SCHEMBL95107

[CH2]CCOCCOCCCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
CYP3A4 P08684 3/20 0.50
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.35
RARB P10826 1/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL20009 0.97
SCHEMBL9339519 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6379930 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL3793940 0.92 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6652282 0.92 HTT (0.56) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7577819 0.92 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6654236 0.90 HTT (0.60) TSHRCYP3A4MEN1THRBHTT
SCHEMBL1802869 0.89 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL982733 0.89
SCHEMBL6650487 0.89 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
EP-0039482-B1 PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID MONOANHYDRIDE-MONOIMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
EP-0090285-B1 PIGMENT PREPARATIONS AND THEIR USE IN PIGMENTING HELIOGRAPHIC AND LAC COLOURS BASF Aktiengesellschaft (DE) 1985-01-16 EP disclosed
US-4490176-A PRINTING INKS, PAINTS; PIGMENT, ALKYLBENZENE SULFONIC ACID, HYDROXYNAPHTHALENE BASF AKTIENGESELLSCHAFT (DE) 1984-12-25 US disclosed
EP-0076995-B1 LIQUID STABLE PREPARATIONS AND THEIR USE BASF Aktiengesellschaft (DE) 1984-07-11 EP disclosed
EP-0043932-B1 LIQUID, STABLE PREPARATIONS OF PHTHALOCYANINE PIGMENTS OR INDANTHRON AND THEIR USE BASF Aktiengesellschaft (DE) 1984-04-18 EP disclosed
EP-0076995-A1 Liquid stable preparations and their use BASF Aktiengesellschaft (DE) 1983-04-20 EP disclosed
US-4350534-A Fluid, stable formulations of copper phthalocyanine or indanthrone BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0043932-A1 Liquid, stable preparations of phthalocyanine pigments or indanthron and their use BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
EP-0039482-A2 Perylene-3,4,9,10-tetracarboxylic acid monoanhydride-monoimides, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 EP 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TSHR 3439/4885CYP3A4 3412/4885MEN1 4401/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885CYP3A4 953/4885MEN1 3912/4885

“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.