SCHEMBL18124708

SCHEMBL18124708

CCCC[C@](C)(CO)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL18124709 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
SCHEMBL18124703 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
SCHEMBL18124692 0.93 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
SCHEMBL18124683 0.93 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2FDPSLMNAHSD17B10
SCHEMBL11083812 0.84 FFAR1 (0.32)
SCHEMBL11090684 0.84 FFAR1 (0.32)
SCHEMBL18124685 0.84 TSHR (0.32) TSHR
SCHEMBL11090499 0.84 FFAR1 (0.32)
SCHEMBL9233478 0.82 TSHR (0.31) TSHR
SCHEMBL18638588 0.82 LMNA (0.30) LMNATSHR

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 ALDH1A1 3811/4885SMN1; SMN2 4646/4885FDPS 1519/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ALDH1A1 3811/4885SMN1; SMN2 4646/4885FDPS 1519/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 ALDH1A1 3939/4885SMN1; SMN2 4563/4885FDPS 2418/4885

“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.