SCHEMBL4178375

SCHEMBL4178375

CC(C)(C)C(=O)C(Br)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.47
CYP24A1 Q07973 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
POLB P06746 2/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MDM2 Q00987 1/20 0.43
CPA1 P15085 3/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 2/20 0.42
CPB1 P15086 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
SCHEMBL11165041 0.82 SLC6A2 (0.43) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8462971 0.81 MDM2 (0.55) MAPTCYP1A2CYP24A1NPC1RAB9A
SCHEMBL11367334 0.80 FDPS (0.49) MAPTCYP1A2PKMMEN1KMT2A
SCHEMBL6649419 0.79 HPGD (0.53) MAPTCYP1A2CYP24A1NPC1RAB9A
SCHEMBL8908699 0.79 MAPT (0.50) MAPTCYP1A2CYP24A1NPC1RAB9A
SCHEMBL24086638 0.79 MAPT (0.50) MAPTCYP1A2CYP24A1NPC1RAB9A
SCHEMBL15581409 0.79 HPGD (0.53) MAPTCYP1A2CYP24A1NPC1RAB9A
Bromide SCHEMBL11353036 0.79 FDPS (0.48) MAPTCYP1A2PKMMEN1KMT2A
SCHEMBL3713994 0.79 ALPI (0.53) CYP1A2NPC1RAB9AALPIPKM
SCHEMBL17763412 0.78 CYP1A2 (0.56) CYP1A2NPC1RAB9AALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 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-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 MAPT 4727/4885CYP1A2 591/4885CYP24A1 1051/4885

“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.