SCHEMBL6830665

SCHEMBL6830665

CC(C)(C)c1cc(Br)cc(C(C)(C)CO)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 3/20 0.50
ALOX15 P16050 3/20 0.50
HIF1A Q16665 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
GMNN O75496 1/20 0.50
GABBR2 O75899 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL49614 0.85 CA2 (0.64) ALDH1A1TSHRMAPK1ALOX15HIF1A
Methylamine SCHEMBL3205669 0.81 CA2 (0.58) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL28572779 0.81 CA2 (0.58) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL9455663 0.78 CA2 (0.75) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL8091323 0.77 GABBR2 (0.53) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL6830000 0.76 CA2 (0.71) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL1530860 0.75 TSHR (0.56) ALDH1A1TSHRALOX15HIF1AMEN1
SCHEMBL10495879 0.75 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1ALOX15HIF1A
SCHEMBL30218650 0.75 TSHR (0.56) ALDH1A1TSHRALOX15HIF1AMEN1
SCHEMBL15563525 0.74 CYP2C9 (0.63) ALDH1A1TSHRALOX15HIF1AMEN1

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 ALDH1A1 236/4885TSHR 3434/4885MAPK1 354/4885

“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.