SCHEMBL17813847

SCHEMBL17813847

CC1(C)c2ccccc2N(CCCS(=O)(=O)O)C12C=Cc1ccccc1O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TDP1 Q9NUW8 4/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.54
THRB P10828 3/20 0.54
RECQL P46063 2/20 0.54
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PLIN1 O60240 1/20 0.54
TSHR P16473 1/20 0.54
PLIN5 Q00G26 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
NPSR1 Q6W5P4 5/20 0.48
ALPG P10696 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL13889706 0.97 MAPT (0.53) MAPTTDP1GAAMEN1KMT2A
SCHEMBL14080036 0.89 MAPT (0.57) MAPTTDP1GAAMEN1KMT2A
SCHEMBL14103933 0.88 MAPT (0.55) MAPTTDP1GAAMEN1KMT2A
SCHEMBL14080035 0.86 MAPT (0.56) MAPTTDP1GAAMEN1KMT2A
SCHEMBL13889731 0.86 MAPT (0.54) MAPTTDP1GAAMEN1KMT2A
SCHEMBL13889722 0.86 MAPT (0.44) MAPTTDP1GAAMEN1KMT2A
SCHEMBL8685153 0.85 MAPT (0.57) MAPTTDP1GAAMEN1KMT2A
SCHEMBL16315815 0.84 MAPT (0.56) MAPTTDP1GAAMEN1KMT2A
SCHEMBL29949228 0.83 MAPT (0.73) MAPTTDP1GAAMEN1KMT2A
SCHEMBL13889705 0.83 MAPT (0.53) MAPTTDP1GAAMEN1KMT2A

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-9776127-B2 Reversible light driven gas absorbent solution and process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-10-03 US disclosed
US-20160251343-A1 PHOTOACID COMPOSITIONS HAVING EXTENDED LIFETIME OF PROTON DISSOCIATION STATE Florida Institute of Technology, Inc. (US) 2016-09-01 US disclosed
US-20160158690-A1 A REVERSIBLE LIGHT DRIVEN GAS ABSORBENT SOLUTION AND PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-06-09 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-20160251343-A1 PHOTOACID COMPOSITIONS HAVING EXTENDED LIFETIME OF PROTON DISSOCIATION STATE NBAS, POLH, SUN2 MAPT 573/4885TDP1 2124/4885GAA 1826/4885

“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.