SCHEMBL3116530

SCHEMBL3116530

CC[C@H](C)CCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38
KMT2A Q03164 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL1198833 1.00 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1198831 1.00 ALOX15 (0.64) ALOX15ALDH1A1TSHRUSP2TDP1
Ammonia Solution, Strong SCHEMBL8967236 0.98 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL7763335 0.95 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
Alcohol SCHEMBL28141696 0.95 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2TDP1
Formic Acid SCHEMBL28284615 0.91 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL21962026 0.91 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL2844694 0.91 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
Acetic Acid SCHEMBL28162362 0.91 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1
Nitrous Acid SCHEMBL781184 0.89 ALOX15 (0.53) ALOX15ALDH1A1TSHRUSP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803948-A Warming sensation compound 高砂香料工业株式会社 2019-05-24 CN disclosed
US-9457004-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2016-10-04 US disclosed
US-20150366834-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-9133082-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20140135374-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
CN-101862317-A The pregabalin derivant that is used for the treatment of fibromyalgia and other disease WARNER LAMBERT CO 2010-10-20 CN disclosed
EP-2172197-A1 Octanoic acid derivative to treat fibromyalgia and other pains Warner-Lambert Company LLC (US) 2010-04-07 EP disclosed
EP-1192125-B9 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
EP-1192125-B1 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2008-12-31 EP disclosed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 US disclosed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
CN-1355784-A Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2002-06-26 CN disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO 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-20140135374-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C ALOX15 3081/4885ALDH1A1 2166/4885TSHR 656/4885
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALOX15 390/4885ALDH1A1 775/4885TSHR 825/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D ALOX15 2410/4885ALDH1A1 137/4885TSHR 447/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 ALOX15 1587/4885ALDH1A1 30/4885TSHR 3180/4885
US-20150366834-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, PDE6C ALOX15 3081/4885ALDH1A1 2166/4885TSHR 656/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 ALOX15 412/4885ALDH1A1 311/4885TSHR 1238/4885

“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.