SCHEMBL8941803

SCHEMBL8941803

CCOC(=O)CC1(O)CCCc2c(OC)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
APP P05067 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPT P10636 1/20 0.37
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 2/20 0.37
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL5210989 0.85 LMNA (0.36) ALDH1A1TSHRMAPK1MAPT
SCHEMBL13185549 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTSRD5A1SRD5A2
SCHEMBL9390090 0.81 NLRP3 (0.39) ALDH1A1APPMAPTHTTHSD17B10
SCHEMBL7565934 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTSRD5A1SRD5A2
SCHEMBL7958551 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTSRD5A1SRD5A2
SCHEMBL7571641 0.77 NLRP3 (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9391452 0.77 NLRP3 (0.41) ALDH1A1APPHTTMEN1KMT2A
SCHEMBL6580559 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRAPPPSEN1
SCHEMBL4911889 0.75 OPRM1 (0.42) CYP3A4TSHR
SCHEMBL10998258 0.74 KDM1A (0.46) ALDH1A1MAPTPARP1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
US-5480913-A DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION ARCH DEVELOPMENT CORPORATION (US) 1996-01-02 US disclosed
EP-0363128-B1 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1993-09-01 EP disclosed
US-5208263-A Dihydrophenanthrene derivatives ARCH DEVELOPMENT CORPORATION (US) 1993-05-04 US disclosed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO disclosed
EP-0363128-A2 Anti-androgen compounds ARCH DEVELOPMENT CORPORATION (US) 1990-04-11 EP 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-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A ALDH1A1 3694/4885CYP3A4 1448/4885TSHR 4841/4885

“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.