SCHEMBL4857794

SCHEMBL4857794

CCCCC(CN)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
OPRM1 P35372 1/20 0.40
DNM1 Q05193 6/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC15A1 P46059 1/20 0.32

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
SCHEMBL18124690 1.00 ALDH1A1 (0.54) ALDH1A1TDP1OPRM1DNM1CA1
SCHEMBL23015677 0.92 OPRM1 (0.50) ALDH1A1TDP1OPRM1DNM1CA1
SCHEMBL17903494 0.90 OPRM1 (0.48) ALDH1A1TDP1OPRM1DNM1SPHK1
SCHEMBL5932767 0.83
SCHEMBL4656057 0.83 DNM1 (0.43) ALDH1A1TDP1OPRM1DNM1CA1
SCHEMBL18595762 0.82 DNM1 (0.43) ALDH1A1TDP1OPRM1DNM1SPHK1
SCHEMBL1164789 0.82 ALDH1A1 (0.41) ALDH1A1TDP1OPRM1DNM1SPHK1
SCHEMBL12979544 0.81 ALDH1A1 (0.41) ALDH1A1TDP1OPRM1DNM1CA1
SCHEMBL23658428 0.81 LMNA (0.37) ALDH1A1TDP1OPRM1TSHR
SCHEMBL10950660 0.80 DNM1 (0.48) ALDH1A1TDP1OPRM1DNM1SPHK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 US disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
EP-1608352-B1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2009-12-30 EP disclosed
US-7371746-B2 1,2,4-Thiadiazole compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-05-13 US disclosed
EP-1765798-A2 1,2,4- THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
US-20070004722-A1 1,2,4-Thiadazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-04 US disclosed
WO-2005037805-A2 1,2,4-THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 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 (6 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ALDH1A1 3811/4885TDP1 1216/4885OPRM1 468/4885
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 ALDH1A1 1440/4885TDP1 4783/4885OPRM1 247/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ALDH1A1 3811/4885TDP1 1216/4885OPRM1 468/4885
US-20070004722-A1 1,2,4-Thiadazole compounds and use thereof CYP4F3, CYP4B1, CYP4X1 ALDH1A1 248/4885TDP1 877/4885OPRM1 2772/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ALDH1A1 3811/4885TDP1 1216/4885OPRM1 468/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 ALDH1A1 3939/4885TDP1 2809/4885OPRM1 245/4885

“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.