SCHEMBL652605

SCHEMBL652605

CC(C)(O)CCCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.34
FFAR1 O14842 2/20 0.33
CPT2 P23786 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FDPS P14324 4/20 0.30
GGPS1 O95749 2/20 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
SCHEMBL21410066 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL10898446 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL14369450 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL5907144 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL5967984 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL23877897 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL28675207 1.00 ALDH1A1 (0.50) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL377962 0.97
SCHEMBL156683 0.94
Ethane SCHEMBL27529117 0.91 ALDH1A1 (0.53) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104513353-A Composition bonded with organic silicon JIANGMEN ABQ ELECTRONIC MATERIAL CO LTD 2015-04-15 CN claimed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP disclosed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US disclosed
US-4218548-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1980-08-19 US disclosed
US-4180518-A CROSSLINKING OR VULCANIZING AGENTS PENNWALT CORPORATION (US) 1979-12-25 US disclosed
US-4177204-A AGENTS FOR CROSSLINKING OR VULCANIZING POLYMERS PENNWALT CORPORATION (US) 1979-12-04 US disclosed
US-4129700-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1978-12-12 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885CYP4F2 982/4885CYP4A11 652/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 ALDH1A1 3577/4885CYP4F2 982/4885CYP4A11 652/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885CYP4F2 982/4885CYP4A11 652/4885

“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.