SCHEMBL2019469

SCHEMBL2019469

CC(c1ccccc1)C(C)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
TSHR P16473 2/20 0.52
POLB P06746 3/20 0.46
TYR P14679 2/20 0.44
HPGD P15428 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX12 P18054 2/20 0.39

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
SCHEMBL11597764 0.89 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL2021492 0.84 GABRA1 (0.45) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL755644 0.80 TYR (0.66) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL29366137 0.80 TYR (0.66) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL3415686 0.79 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL29205217 0.78 KDM4E (0.42) GABRA1GABRB2TSHRPOLBTYR
SCHEMBL2022379 0.78 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBHPGD
SCHEMBL908216 0.78 TAAR1 (0.50) TSHRKDM4EALDH1A1LMNAHIF1A
SCHEMBL8567329 0.77 GABRA1 (0.62) GABRA1GABRB2TSHRPOLBTYR
Hydrogen Peroxide SCHEMBL28937397 0.77 GABRA1 (0.95) GABRA1GABRB2TSHRPOLBTYR

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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH GABRA1 1573/4885GABRB2 1720/4885TSHR 2998/4885

“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.