SCHEMBL5173261

SCHEMBL5173261

CC(=O)OC(=O)[C@@H](O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6539789 1.00 EPHX1 (0.38) EPHX1DHODHALDH1A1TP53TSHR
SCHEMBL11145639 0.80 EPHX1 (0.38) EPHX1ALDH1A1TP53TSHRCA12
SCHEMBL6592409 0.79 TP53 (0.47) EPHX1ALDH1A1TP53TSHRCA12
SCHEMBL3996792 0.79 TP53 (0.47) EPHX1ALDH1A1TP53TSHRCA12
SCHEMBL22749453 0.78 DPP4 (0.45) EPHX1
SCHEMBL15820587 0.77 EPHX1 (0.41) EPHX1ALDH1A1TP53
SCHEMBL14045008 0.77 THRB (0.46) EPHX1ALDH1A1TP53TSHRCA12
SCHEMBL11117724 0.76 EPHX1 (0.39) EPHX1ALDH1A1TP53
SCHEMBL12071026 0.76 EPHX1 (0.44) EPHX1DHODHTP53CA12CA1
SCHEMBL8277386 0.76 EPHX1 (0.44) EPHX1DHODHTP53CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP claimed
US-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US claimed
US-20040034080-A1 Method for producing 3,3-diarylpropylamines UCB PHARMA GMBH (DE) 2004-02-19 US claimed
US-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US disclosed
US-20040034080-A1 Method for producing 3,3-diarylpropylamines UCB PHARMA GMBH (DE) 2004-02-19 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-20040034080-A1 Method for producing 3,3-diarylpropylamines HNMT, CYP1A1, HRH3 EPHX1 880/4885DHODH 186/4885ALDH1A1 121/4885

“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.