SCHEMBL3395745

SCHEMBL3395745

CC(OC(=O)Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 11/20 0.61
TSHR P16473 2/20 0.57
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL13046507 0.89 TSHR (0.71) KLK7TSHRCNR2ALDH1A1L3MBTL1
SCHEMBL112612 0.89 TSHR (0.71) KLK7TSHRCNR2ALDH1A1L3MBTL1
SCHEMBL3391481 0.89 TSHR (0.71) KLK7TSHRCNR2ALDH1A1L3MBTL1
SCHEMBL11460504 0.84 KLK7 (0.64) KLK7TSHRCNR2CNR1ALDH1A1
Formic Acid SCHEMBL11016171 0.83 TSHR (0.63) KLK7TSHRCNR2ALDH1A1L3MBTL1
SCHEMBL14088113 0.82 TSHR (0.54) KLK7TSHRALDH1A1
SCHEMBL3497340 0.82 KLK7 (0.60) KLK7TSHRCNR2CNR1POLB
SCHEMBL5676693 0.80 KLK7 (0.57) KLK7TSHRALDH1A1POLB
SCHEMBL14088226 0.80 TSHR (0.48) KLK7TSHR
Phenylpropanol SCHEMBL5690153 0.79 TSHR (0.58) KLK7TSHRCNR2ALDH1A1L3MBTL1

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 14 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-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
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-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 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-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 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
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 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
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 KLK7 2105/4885TSHR 4126/4885CNR2 4796/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA KLK7 2105/4885TSHR 4126/4885CNR2 4796/4885

“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.