SCHEMBL18124683

SCHEMBL18124683

CCCCCC(C)(CO)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
FDPS P14324 11/20 0.35
GGPS1 O95749 7/20 0.35
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL18124692 1.00 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL18124708 0.93 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL18124703 0.93 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL18124709 0.93 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL11090499 0.87 FFAR1 (0.32)
SCHEMBL11090684 0.87 FFAR1 (0.32)
SCHEMBL11083812 0.87 FFAR1 (0.32)
Ammonia Solution, Strong SCHEMBL6037107 0.85 TSHR (0.35) TSHRFDPSGGPS1CES2LPAR1
SCHEMBL9733658 0.84 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL9232200 0.83 SMN1; SMN2 (0.32) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 SMN1; SMN2 4646/4885LMNA 3552/4885ALDH1A1 3811/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 SMN1; SMN2 4646/4885LMNA 3552/4885ALDH1A1 3811/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 SMN1; SMN2 4563/4885LMNA 4121/4885ALDH1A1 3939/4885

“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.