SCHEMBL12651491

SCHEMBL12651491

CC(=O)OC[C@H]1O[C@@H](Oc2cccc(O)c2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.63
▸ PDIA4 P13667 1/20 0.63
▸ PDIA3 P30101 1/20 0.63
▸ TSHR P16473 1/20 0.55
▸ CA12 O43570 6/20 0.54
▸ CA1 P00915 6/20 0.54
▸ CA2 P00918 6/20 0.54
▸ CA4 P22748 6/20 0.54
▸ CA5A P35218 6/20 0.54
▸ CA7 P43166 6/20 0.54
▸ CA5B Q9Y2D0 6/20 0.54
▸ CA6 P23280 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ CA13 Q8N1Q1 4/20 0.54
▸ CA14 Q9ULX7 4/20 0.54
▸ CYP2D6 P10635 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL12651482 1.00 P4HB (0.63) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL12651802 0.96 P4HB (0.59) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL12651652 0.96 P4HB (0.59) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL20633976 0.92 P4HB (0.61) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL1726710 0.91 P4HB (0.61) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL8654501 0.91 P4HB (0.61) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13587888 0.91 P4HB (0.53) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13324379 0.91 P4HB (0.59) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL12610466 0.89 P4HB (0.53) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL12610600 0.89 P4HB (0.53) P4HBPDIA4PDIA3TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707417-B2 Use of benzotropolone derivatives as UV absorbers and antioxidants and their use in sunscreens and/or cosmetic compositions BASF SE (DE) 2017-07-18 — — US disclosed
EP-2296760-B1 USE OF BENZOTROPOLONE DERIVATIVES AS UV ABSORBERS AND ANTIOXIDANTS AND THEIR USE IN SUNSCREENS AND/OR COSMETIC COMPOSITIONS BASF SE (DE) 2016-03-16 — — EP disclosed
US-20110123468-A1 USE OF BENZOTROPOLONE DERIVATIVES AS UV ABSORBERS AND ANTIOXIDANTS AND THEIR USE IN SUNSCREENS AND/OR COSMETIC COMPOSITIONS BASF SE (DE) 2011-05-26 — — 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-20110123468-A1 USE OF BENZOTROPOLONE DERIVATIVES AS UV ABSORBERS AND ANTIOXIDANTS AND THEIR USE IN SUNSCREENS AND/OR COSMETIC COMPOSITIONS CBR3, SCO2, CBR1 P4HB 1270/4885PDIA4 1279/4885PDIA3 944/4885

“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.

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