SCHEMBL6830000

SCHEMBL6830000

CC(C)(C)c1cccc(C(C)(C)CO)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.71
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
ALOX12 P18054 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 2/20 0.44
GMNN O75496 1/20 0.44
GABBR2 O75899 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL38598 0.84 CA2 (1.00) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL21241567 0.84 CA2 (0.65) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL2916950 0.83 CA2 (0.71) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL31622310 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL28924235 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL7076174 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL29189109 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL22444875 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
SCHEMBL29614734 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL28473948 0.82 CA2 (0.94) CA2GABRA1GABRB2ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743923-B2 A BENZYLIDENE DERIVATIVES USED FOR OSTEOCLAST FORMATION INHIBITION, A NITROGEN MONOXIDE PRODUCTION INHIBITION, AND A TRANSCRIPTION FACTOR NF KAPPA B SUPRESSING AGENT SHIONOGI & CO., LTD. (JP) 2004-06-01 US disclosed
US-20030125364-A1 Antirheumatic agent MATSUMOTO SAICHI (JP) 2003-07-03 US disclosed
US-6525081-B1 Inhibiting osteoclast formation and nitrogen monoxide production; suppressing transcription factor NF kappa B SHIONOGI & CO., LTD. (JP) 2003-02-25 US disclosed
EP-1026162-A1 ANTIRHEUMATIC SHIONOGI & CO., LTD. (JP) 2000-08-09 EP 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-20030125364-A1 Antirheumatic agent IL1A, IL1B, IL17A CA2 761/4885GABRA1 687/4885GABRB2 1356/4885

“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.