SCHEMBL13799418

SCHEMBL13799418

CCc1ccc2c(c1)OC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNJ1 P48048 1/20 0.38
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
OGA O60502 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PBRM1 Q86U86 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TRPA1 O75762 1/20 0.34
PARP1 P09874 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL25725444 0.86 TDP1 (0.53) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL24418002 0.81 TDP1 (0.39) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL8268612 0.79 KCNJ1 (0.39) ALDH1A1KDM4ETDP1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5804850 0.78 KCNJ1 (0.39) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL13291827 0.76 TP53 (0.39) TP53TRPA1PARP1
SCHEMBL7916564 0.76 CREBBP (0.50) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL21657656 0.76 CREBBP (0.50) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL23314224 0.75 KCNJ1 (0.41) ALDH1A1KDM4ETDP1KCNJ1PARP1
SCHEMBL5547664 0.74 BRD4 (0.55) ALDH1A1KDM4ETDP1GAASMN1; SMN2
SCHEMBL16372547 0.74 TDP1 (0.44) ALDH1A1KDM4ETDP1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 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 (1 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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 ALDH1A1 485/4885KDM4E 1731/4885TDP1 1542/4885

“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.