SCHEMBL4173745

SCHEMBL4173745

CC(C)C(=O)N(CCC[O])c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 7/20 0.48
LTB4R2 Q9NPC1 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRB2 P07550 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL4158754 0.90 LTB4R2 (0.49) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL18997806 0.87 MLYCD (0.62) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL4158995 0.85 MLYCD (0.50) MLYCDALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL4152992 0.83 ALDH1A1 (0.50) MLYCDALDH1A1KDM4EHPGDNPSR1
SCHEMBL5805977 0.81 LTB4R2 (0.48) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL14443063 0.80 LTB4R2 (0.50) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL4158716 0.80 TP53 (0.48) MLYCDALDH1A1TSHRNPSR1MEN1
SCHEMBL18765958 0.79 ALDH1A1 (0.66) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL27436004 0.79 HPGD (0.48) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL4167170 0.78 TP53 (0.57) LTB4R2ALDH1A1TSHRMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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 (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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 MLYCD 1459/4885LTB4R2 490/4885ALDH1A1 2505/4885

“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.