SCHEMBL3392225

SCHEMBL3392225

CC(c1ccccc1)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MME P08473 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
ACP3 P15309 1/20 0.49
ACE P12821 1/20 0.47
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL584516 0.85 TSHR (0.54) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6449834 0.84 MME (0.58) TSHRMMEACENPC1RAB9A
SCHEMBL27453354 0.82 SLC1A3 (0.51) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL8644896 0.81 MME (0.51) MME
SCHEMBL4556535 0.81 PTGS2 (0.50) MMESMN1; SMN2NPC1RAB9A
SCHEMBL585397 0.79 MME (0.56) MMEMEN1KMT2AACE
SCHEMBL20291832 0.79 MME (0.56) MMEMEN1KMT2AACE
SCHEMBL16201777 0.78 CNR2 (0.46) TSHRMMESMN1; SMN2MEN1HTT
SCHEMBL23699060 0.78 MME (0.51) MME
SCHEMBL9196225 0.78 HTT (0.55) MMEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US claimed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO claimed
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 TSHR 4126/4885MME 1536/4885SMN1; SMN2 2589/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA TSHR 4126/4885MME 1536/4885SMN1; SMN2 2589/4885

“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.