SCHEMBL14849599

SCHEMBL14849599

CC(C)(C)c1ccc(C(=O)CC(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.52
RAB9A P51151 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 2/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL30298056 0.79 HDAC2 (0.49) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL268855 0.76 RAB9A (0.73) RAB9AHDAC1NPC1MAPTLMNA
SCHEMBL450084 0.76 RAB9A (0.85) HDAC2RAB9AHDAC3HDAC1NPC1
SCHEMBL5163196 0.76 HDAC3 (0.51) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL9585720 0.75 BCL2L1 (0.66) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL5162744 0.75 HDAC3 (0.57) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL5160499 0.75 HDAC3 (0.57) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL5162433 0.74 HDAC3 (0.60) HDAC2RAB9AHDAC3HDAC1HDAC4
SCHEMBL15979634 0.74 BCL2L1 (0.51) HDAC2RAB9AHDAC3HDAC1NPC1
SCHEMBL14849577 0.74 RAB9A (0.56) RAB9AHDAC1NPC1MAPTLMNA

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-20130090460-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-04-11 US disclosed
US-20130090460-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-04-11 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-20130090460-A1 RARE EARTH METAL COMPLEX AP1M1, KCNMA1, DDRGK1 HDAC2 690/4885RAB9A 3349/4885HDAC3 1112/4885

“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.