SCHEMBL18124693

SCHEMBL18124693

CCC[C@H](C(=O)OC)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
ABCB1 P08183 1/20 0.40
CA14 Q9ULX7 4/20 0.38
CA7 P43166 2/20 0.38
CA12 O43570 2/20 0.38
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
BIRC2 Q13490 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL18124651 1.00 CA1 (0.45) CA1CA2SMN1; SMN2ZDHHC7ABCB1
SCHEMBL18124656 1.00 CA1 (0.45) CA1CA2SMN1; SMN2ZDHHC7ABCB1
SCHEMBL721542 0.88 CA1 (0.50) CA1CA2SMN1; SMN2ZDHHC7ABCB1
SCHEMBL15443054 0.87 CA2 (0.57) CA1CA2SMN1; SMN2ZDHHC7ABCB1
SCHEMBL28549216 0.86 CA1 (0.36) CA1CA2SMN1; SMN2ZDHHC7ABCB1
SCHEMBL10511832 0.84 HDAC1 (0.37) CA1CA2ZDHHC7ABCB1CA14
SCHEMBL3669847 0.84 ZDHHC7 (0.59) CA1CA2ZDHHC7ABCB1BIRC2
SCHEMBL8042236 0.84 ZDHHC7 (0.59) CA1CA2ZDHHC7ABCB1BIRC2
SCHEMBL17180575 0.84 ZDHHC7 (0.59) CA1CA2ZDHHC7ABCB1BIRC2
SCHEMBL3675190 0.84 ZDHHC7 (0.59) CA1CA2ZDHHC7ABCB1BIRC2

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 4 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
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 CA1 4871/4885CA2 4092/4885SMN1; SMN2 4646/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 CA1 4871/4885CA2 4092/4885SMN1; SMN2 4646/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 CA1 4883/4885CA2 4607/4885SMN1; SMN2 4563/4885

“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.