SCHEMBL12220321

SCHEMBL12220321

C=C(C(=O)OCCC(C)(C)O)C(=O)OCCC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.31

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
SCHEMBL3688925 0.85 THRB (0.52) ALDH1A1THRBTSHR
SCHEMBL12220307 0.79 TSHR (0.56) ALDH1A1THRBTSHR
SCHEMBL12588774 0.77 ALDH1A1 (0.36) ALDH1A1THRB
SCHEMBL3688926 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3692526 0.75 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL2625 0.75 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL9610669 0.74 TSHR (0.56) ALDH1A1THRBTSHR
SCHEMBL17693803 0.73 POLB (0.42) ALDH1A1MAPT
SCHEMBL28130284 0.73 LMNA (0.47) ALDH1A1TSHR
SCHEMBL15056991 0.73 ALDH1A1 (0.41) ALDH1A1

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
US-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 US disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 US disclosed
US-20100130638-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2010-05-27 US disclosed
US-20100025642-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 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 (2 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-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME F12, F2, CYP24A1 ALDH1A1 1492/4885THRB 1555/4885TSHR 972/4885
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND SQOR, NQO1, PBRM1 ALDH1A1 739/4885THRB 2244/4885TSHR 1459/4885

“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.