SCHEMBL1235840

SCHEMBL1235840

CCCCCCC(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 6/20 0.37
FDPS P14324 9/20 0.35
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL10491876 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL15121126 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9787912 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9477891 1.00 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10916892 0.97 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL6920148 0.90
SCHEMBL9478548 0.89
SCHEMBL13584591 0.85 FDPS (0.35) TSHRGGPS1FDPSSMPD1
SCHEMBL8763241 0.81
SCHEMBL12602517 0.81 TSHR (0.40) TSHRTHRBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173704-A2 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE BASF SE (DE) 2010-04-14 EP claimed
WO-2009013199-A2 PROCESS FOR THE PREPARATION OF ETHYLGERANONITRILE BASF SE (DE) 2009-01-29 WO claimed
US-12617762-B2 Carboxy derivatives with antiinflamatory properties SITRYX THERAPEUTICS LIMITED (GB) 2026-05-05 US disclosed
EP-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 EP disclosed
EP-4442319-A2 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2024-10-09 EP disclosed
EP-4081511-B1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2024-07-31 EP disclosed
CN-116178210-B Preparation method of citronellyl nitrile derivative 鹰潭华煜生物科技有限公司 2023-10-13 CN disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-3656832-B1 LIGAND-MODIFIED QUANTUM DOT COMPOSITION, LIGAND-MODIFIED QUANTUM DOT LAYER, PREPARATION METHOD THEREFOR, AND QUANTUM DOT LIGHT-EMITTING DIODE BOE TECHNOLOGY GROUP CO LTD (CN) 2023-06-21 EP disclosed
US-20090286815-A1 Pyrimidine Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286815-A1 Pyrimidine Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286824-A1 Pyridine Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286824-A1 Pyridine Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (7 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885THRB 232/4885GGPS1 1490/4885
US-20090286824-A1 Pyridine Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, NPY1R TSHR 753/4885THRB 1242/4885GGPS1 1399/4885
US-20090286815-A1 Pyrimidine Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 TSHR 1075/4885THRB 976/4885GGPS1 387/4885
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 TSHR 964/4885THRB 851/4885GGPS1 341/4885
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885THRB 4456/4885GGPS1 717/4885
US-12617762-B2 Carboxy derivatives with antiinflamatory properties CCR1, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 3443/4885THRB 3939/4885GGPS1 262/4885
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, NPY1R TSHR 713/4885THRB 1376/4885GGPS1 1743/4885

“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.