SCHEMBL3395166

SCHEMBL3395166

CCC(c1ccccc1)c1ccccc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
PTGS2 P35354 2/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCAT2 O15382 1/20 0.40
FFAR1 O14842 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
CXCL8 P10145 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6258639 0.84 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CYSLTR2
SCHEMBL6546270 0.83 HTR2A (0.45) TDP1LMNAPOLBCYP2D6MEN1
SCHEMBL8086649 0.82 TSHR (0.53) AKR1B1TDP1PTGS2BCAT2CYSLTR2
SCHEMBL396915 0.82 AKR1B1 (0.50) AKR1B1TDP1PTGS2CYP2D6KMT2A
SCHEMBL2554055 0.79 AKR1B1 (0.55) AKR1B1TDP1LMNAPTGS2KMT2A
SCHEMBL12506237 0.79 HTR2A (0.45) TDP1LMNAPOLBCYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL10582878 0.78 AKR1B1 (0.53) AKR1B1TDP1LMNAPTGS2KMT2A
SCHEMBL3383898 0.77 AKR1B1 (0.57) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL2004084 0.76 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL11669660 0.76 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 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 (2 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA AKR1B1 2523/4885TDP1 406/4885LMNA 3603/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA AKR1B1 2523/4885TDP1 406/4885LMNA 3603/4885

“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.