SCHEMBL597644

SCHEMBL597644

CCCC(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
OPRM1 P35372 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL26316428 0.92 TSHR (0.40) TSHROPRM1CHRM1AKR1A1CHRM3
SCHEMBL18765448 0.83 TSHR (0.35) TSHR
SCHEMBL22345154 0.83 METAP1 (0.36) TSHR
SCHEMBL18520646 0.81 OPRM1 (0.38) TSHROPRM1
SCHEMBL20791965 0.81 OPRM1 (0.38) TSHROPRM1
SCHEMBL23207686 0.81 TSHR (0.33) TSHR
SCHEMBL17607461 0.81 TSHR (0.33) TSHR
SCHEMBL18790926 0.81 TSHR (0.33) TSHR
SCHEMBL13674199 0.81 TSHR (0.39) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4654330 0.79 DNM1 (0.43) TSHROPRM1TDP1CYP3A4FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014108487-A1 P-STEREOGENIC CHIRAL PRECURSOR OF CHIRAL LIGANDS AND USE THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2014-07-17 WO claimed
WO-2023009952-A1 SOLVENTS, METHODS, AND SYSTEMS FOR ISOLATING CANNABINOIDS FROM PLANTS EXTRACTS OR FROM SYNTHETIC PATHWAYS NOEL ARMAND J (US) 2023-02-02 WO disclosed
WO-2023009956-A1 PROCESSES FOR CONVERTING CANNABINOIDS INTO CANNABINOID DERIVATIVES AND RECOVERING THE SAME NOEL ARMAND J (US) 2023-02-02 WO disclosed
WO-2023009954-A1 SOLVENTS, METHODS, AND SYSTEMS FOR ISOLATING BOTANICAL EXTRACTS FROM PLANTS NOEL ARMAND J (US) 2023-02-02 WO disclosed
WO-2023009955-A1 PROCESSES AND SYSTEMS FOR CONVERTING CANNABINOIDS INTO CANNABINOID DERIVATIVES AND ISOLATING THE SAME NOEL ARMAND J (US) 2023-02-02 WO disclosed
US-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
EP-3648806-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION Drei Lilien PVG GmbH & Co. KG (DE) 2020-05-13 EP disclosed
US-10403821-B2 Method of making an electrode CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
WO-2019008192-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2019-01-10 WO disclosed
US-20170194566-A1 METHOD OF MAKING AN ELECTRODE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-07-06 US disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
CN-1620295-A Preparation of intermediates for the synthesis of antiviral nucleosides PHARMASSET LTD (BB) 2005-05-25 CN disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO 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-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA TSHR 4374/4885OPRM1 3519/4885CHRM1 2358/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP TSHR 4420/4885OPRM1 3130/4885CHRM1 3494/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS TSHR 3766/4885OPRM1 1998/4885CHRM1 3614/4885

“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.