SCHEMBL1454099

SCHEMBL1454099

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2C(C)(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PGR P06401 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL1453777 0.83 PGR (0.37) ALDH1A1PGRMAPT
SCHEMBL1453731 0.80 SLC6A2 (0.43) L3MBTL1PGRCYP1A2TDP1
SCHEMBL1452556 0.80 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1452812 0.80 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL4652193 0.79 ALDH1A1 (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1452217 0.79 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1452943 0.78 MAPK1 (0.39) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL27544369 0.72 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL16315942 0.71 SLC6A2 (0.35) PGR
SCHEMBL1453570 0.71 NPC1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ALDH1A1 2182/4885NPC1 1782/4885PLA2G1B 4401/4885

“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.