SCHEMBL12205458

SCHEMBL12205458

Cc1ccc2c(c1)Oc1ccccc1C2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
NR3C1 P04150 5/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
ESR1 P03372 2/20 0.38
PGR P06401 2/20 0.38
AR P10275 2/20 0.38
PKM P14618 1/20 0.36

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
SCHEMBL2834111 0.86 MAOA (0.52) KMT2ANR3C1FFAR4MAOAMAOB
SCHEMBL12205445 0.81 KMT2A (0.46) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL11732024 0.79 MAOA (0.68) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL24402162 0.77 GAA (0.56) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL27478488 0.75 KMT2A (0.45) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL8184983 0.74 TP53 (0.52) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL12205513 0.74 NR3C1 (0.54) KMT2ANR3C1ALDH1A1ATMESR1
SCHEMBL12437778 0.73 HTR2A (0.63) KMT2AALDH1A1ALDH2HSD17B1HSD17B2
SCHEMBL12230864 0.72 NR3C1 (0.41) KMT2ANR3C1MAOAMAOBATM
SCHEMBL3353198 0.72 NR3C1 (0.41) KMT2ANR3C1MAOAMAOBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 KMT2A 2166/4885NR3C1 8/4885ALDH1A1 3409/4885

“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.