SCHEMBL3497342

SCHEMBL3497342

CCC(c1ccccc1)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SLC6A9 P48067 2/20 0.43
SLC6A5 Q9Y345 2/20 0.43
HKDC1 Q2TB90 1/20 0.42
CNR1 P21554 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
FFAR2 O15552 1/20 0.41
HTT P42858 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
SCHEMBL3395163 0.90 CYP2D6 (0.61) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL4611322 0.90 CYP2D6 (0.61) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL4612061 0.90 CYP2D6 (0.61) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL4612358 0.90 CYP2D6 (0.61) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL4611469 0.90 CYP2D6 (0.61) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL11356933 0.84 KMT2A (0.48) CYP2D6SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL30219800 0.84 CYP2C9 (0.62) CYP2D6SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL30219806 0.84 CYP2C9 (0.62) CYP2D6SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL11350641 0.83 SLC6A2 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL10680520 0.80 CYP2D6 (0.46) CYP2D6SLC6A2SLC6A4SLC6A3CYP2C9

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
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

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 CYP2D6 1443/4885SLC6A2 4386/4885SLC6A4 4155/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA CYP2D6 1443/4885SLC6A2 4386/4885SLC6A4 4155/4885

“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.