SCHEMBL4369552

SCHEMBL4369552

COC(=O)C(=O)C(C)(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.57
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CES1 P23141 2/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL22315413 0.82 ESR1 (0.45) KCNN4MAPTALDH1A1TSHRKDM4E
SCHEMBL6243239 0.82 KCNN4 (0.50) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL16877071 0.81 SMN1; SMN2 (0.46) KCNN4MAPTKMT2AHDAC3HDAC1
SCHEMBL25401154 0.80 KCNN4 (0.52) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL18339128 0.79 MAPT (0.48) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL728471 0.79 KCNN4 (0.67) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL4376662 0.79 MAPT (0.61) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL14881144 0.78 KCNN4 (0.50) KCNN4MAPTKMT2AHDAC3HDAC4
Ammonia Solution, Strong SCHEMBL11249050 0.78 KCNN4 (0.64) KCNN4MAPTKMT2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL27604363 0.78 KCNN4 (0.64) KCNN4MAPTKMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR KCNN4 4506/4885MAPT 4780/4885KMT2A 1674/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR KCNN4 4506/4885MAPT 4780/4885KMT2A 1674/4885

“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.