SCHEMBL5598419

SCHEMBL5598419

CC(C)(C)c1ccc(-c2ccccc2)c(CBr)c1CBr

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL5501718 0.82 ALDH1A1 (0.44) DPP4DPP8ALDH1A1MAPK1TSHR
SCHEMBL5598216 0.79 DPP4 (0.35) DPP4DPP8ALDH1A1TSHRTDP1
SCHEMBL28099521 0.72 DPP4 (0.33) DPP4DPP8
SCHEMBL5376614 0.72 ALDH1A1 (0.48) DPP4ALDH1A1MAPK1TSHRTDP1
SCHEMBL2048441 0.71 PDCD1 (0.37) DPP4DPP8ALDH1A1MAPK1TSHR
SCHEMBL27748034 0.71 USP7 (0.34)
SCHEMBL28424180 0.70 MAOB (0.38) ALDH1A1MAPK1TSHRTDP1MEN1
SCHEMBL28776819 0.70 DPP4 (0.40) DPP4DPP8
SCHEMBL27748036 0.70 PTGS2 (0.31) DPP4PDCD1CD274
SCHEMBL8680603 0.69 PDCD1 (0.41) ALDH1A1TSHRTDP1ESR2PDCD1

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-7199274-B2 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2007-04-03 US disclosed
US-20050256344-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-11-17 US disclosed
EP-1554233-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-07-20 EP disclosed
WO-2004037756-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2004-05-06 WO 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-20050256344-A1 Preparation of substituted indenes CYP1A2, CYP1B1, DHPS DPP4 4638/4885DPP8 4407/4885ALDH1A1 178/4885

“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.