SCHEMBL5067477

SCHEMBL5067477

CC1(C)CC(N)CC(C)(C)N1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
DHFR P00374 4/20 0.41
KDM1A O60341 6/20 0.38
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL5065428 0.84 IDO1 (0.41) KDM1AIDO1AGXT
SCHEMBL5062027 0.84 ALDH1A1 (0.45) ALDH1A1DHFRTSHR
SCHEMBL13412651 0.84 ALDH1A1 (0.45) ALDH1A1DHFRTSHR
SCHEMBL17351108 0.83 ALDH1A1 (0.44) ALDH1A1DHFRTSHR
SCHEMBL9440082 0.83 CARM1 (0.46) ALDH1A1DHFRTSHR
SCHEMBL7475314 0.81 CARM1 (0.45) ALDH1A1DHFRTSHR
SCHEMBL9674791 0.80 ALDH1A1 (0.42) ALDH1A1DHFRTSHR
SCHEMBL27865358 0.80 ALDH1A1 (0.50) ALDH1A1DHFRIDO1AGXTTSHR
SCHEMBL2139487 0.78 ALDH1A1 (0.49) ALDH1A1DHFRTSHR
Acetic Acid SCHEMBL3797025 0.77 TSHR (0.46) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377192-B2 Stabilisers for inanimate organic materials BASF SE (DE) 2013-02-19 US disclosed
US-8377192-B2 Stabilisers for inanimate organic materials BASF SE (DE) 2013-02-19 US disclosed
EP-2450400-A2 Stabilisers for inanimate organic materials BASF SE (DE) 2012-05-09 EP disclosed
US-20110214590-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS BASF SE (DE) 2011-09-08 US disclosed
US-20110214590-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS BASF SE (DE) 2011-09-08 US disclosed
WO-2010023115-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS BASF SE (DE) 2010-03-04 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-20110214590-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS C1S, C1R, F12 ALDH1A1 496/4885DHFR 928/4885KDM1A 590/4885

“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.