SCHEMBL6204613

SCHEMBL6204613

NC(C(=O)OCc1ccccc1)C1(C(=O)O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
LTA4H P09960 1/20 0.41

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
Hydrochloric Acid SCHEMBL15055404 0.83 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL15055327 0.81 ALDH1A1 (0.42) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL4532053 0.81 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL4866841 0.81 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL28137467 0.80 ALDH1A1 (0.41) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL4697175 0.80 ALDH1A1 (0.41) KMT2ACYP2C9CYP2C19MEN1CYP1A2
SCHEMBL4866933 0.79 SLC1A1 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL10418944 0.79 ALDH1A1 (0.45) ALDH1A1DDB1CRBN
Cyclohexane SCHEMBL27529940 0.77 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9
SCHEMBL28290493 0.76 ALDH1A1 (0.59) SLC1A3SLC1A2SLC1A1KMT2ACYP2C9

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
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
CN-1489588-A Thiazolyl-oxazolyl-pyrrolyl-and imidazolyl-acid amide derivatives useful as inbibitors of PDE 4 isozymes �Ʒ� 2004-04-14 CN disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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 (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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR SLC1A3 810/4885SLC1A2 813/4885SLC1A1 882/4885

“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.