SCHEMBL2997715

SCHEMBL2997715

C=Cc1ccc(-c2ccccc2)cc1.C=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 1/20 0.68
TP53 P04637 1/20 0.46
CA1 P00915 1/20 0.46
MGLL Q99685 1/20 0.46
HDAC2 Q92769 3/20 0.44
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL447854 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL8758080 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL15056 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53CA1MGLL
Fluoride SCHEMBL9324614 0.97 ALDH1A1 (0.65) ALDH1A1TSHRTP53CA1MGLL
Tannin Pyrogallol SCHEMBL28814295 0.94 ALDH1A1 (0.78) ALDH1A1TSHRTP53CA1MGLL
Naphthalene SCHEMBL27465863 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTP53CA1MGLL
SCHEMBL368887 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTP53CA1MGLL
Methylamine SCHEMBL28207862 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTP53CA1MGLL
Biphenyl SCHEMBL239496 0.92 ALDH1A1 (0.82) ALDH1A1TSHRTP53CA1MGLL
Biphenyl SCHEMBL29265378 0.92 ALDH1A1 (0.82) ALDH1A1TSHRTP53CA1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172861-A1 Anionic Polymers as Toxin Binders and Antibacterial Agents GENZYME CORPORATION (US) 2010-07-08 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-20100172861-A1 Anionic Polymers as Toxin Binders and Antibacterial Agents MSN, ANTXR2, PNKP ALDH1A1 4470/4885TSHR 1345/4885TP53 2924/4885

“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.