SCHEMBL18124696

SCHEMBL18124696

CCCCC(CC)(CO)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.30
TSHR P16473 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
SCHEMBL3625543 0.91 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2FDPSTSHR
SCHEMBL28438544 0.85 TSHR (0.32) FDPSTSHR
SCHEMBL406532 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27144573 0.84 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2FDPSTSHR
SCHEMBL9894107 0.82 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2FDPSTSHR
SCHEMBL9235092 0.81
SCHEMBL21081707 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL765917 0.80 DPP4 (0.35) ALDH1A1TSHR
SCHEMBL20224768 0.80 DPP4 (0.35) ALDH1A1TSHR
SCHEMBL17079089 0.79 TNNC1 (0.31)

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.