SCHEMBL2390569

SCHEMBL2390569

C=C(C(=O)O)C(CCC(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL14673444 0.76 ALDH1A1 (0.44) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL2026426 0.71 ALDH1A1 (0.38) EPHX2ALDH1A1NPC1MEN1KMT2A
Methacrylic Acid SCHEMBL12803308 0.69 ALDH1A1 (0.44) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL332874 0.69 EPHX2 (0.43) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL9244526 0.67 EPHX2 (0.47) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL23495517 0.67 NPC1 (0.32) ALDH1A1NPC1
Adamantane SCHEMBL17666824 0.66 TSHR (0.35) EPHX2ALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL3674042 0.65 ALDH1A1 (0.43) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL1089252 0.64 ALDH1A1 (0.50) EPHX2ALDH1A1NPC1MEN1KMT2A
SCHEMBL15149727 0.64 ALDH1A1 (0.50) EPHX2ALDH1A1NPC1MEN1KMT2A

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-2539316-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2019-10-23 EP disclosed
US-8580478-B2 Latent acids and their use BASF SE (DE) 2013-11-12 US disclosed
EP-2539316-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2013-01-02 EP disclosed
US-20110217654-A1 Latent acids and their use BASF SE (DE) 2011-09-08 US disclosed
WO-2011104127-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2011-09-01 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 (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-20110217654-A1 Latent acids and their use NR1H3, NR1H2, NR2E3 EPHX2 860/4885ALDH1A1 1395/4885NPC1 722/4885

“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.