SCHEMBL1658447

SCHEMBL1658447

CCCCC(C)(C)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 5/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FDPS P14324 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL18125160 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL16326391 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL1659096 0.92 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL8897150 0.90 LMNA (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL6330793 0.90 LMNA (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL1660093 0.90 LMNA (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL6322458 0.90 LMNA (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL1658351 0.83
SCHEMBL6060705 0.83 ACACB (0.37) TDP1
SCHEMBL7248706 0.81 TDP1 (0.40) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440992-A Use of a composition in optical measurement applications F2MB-工程公司 2024-01-23 CN disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 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-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20100317872-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2010-12-16 US disclosed
US-7799821-B2 Therapeutic compounds ALLERGAN, INC. (US) 2010-09-21 US disclosed
US-7674786-B2 Therapeutic β-lactams ALLERGAN, INC. (US) 2010-03-09 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-20090186866-A1 THERAPEUTIC BETA-LACTAMS ALLERGAN, INC. 2009-07-23 US disclosed
US-20080113943-A1 Therapeutic Beta-Lactams ALLERGAN, INC. (US) 2008-05-15 US disclosed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 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 (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 3811/4885SMN1; SMN2 4646/4885TSHR 1106/4885
US-20090186866-A1 THERAPEUTIC BETA-LACTAMS NRDC, DDO, DAO ALDH1A1 1258/4885SMN1; SMN2 1965/4885TSHR 3545/4885
US-20080113943-A1 Therapeutic Beta-Lactams NRDC, DDO, DAO ALDH1A1 1258/4885SMN1; SMN2 1965/4885TSHR 3545/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ALDH1A1 3811/4885SMN1; SMN2 4646/4885TSHR 1106/4885
US-20100317872-A1 THERAPEUTIC COMPOUNDS PTGER2, PTGES2, PTGER1 ALDH1A1 2292/4885SMN1; SMN2 4423/4885TSHR 1027/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 ALDH1A1 3939/4885SMN1; SMN2 4563/4885TSHR 2756/4885

“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.