SCHEMBL1452244

SCHEMBL1452244

COc1ccc2c(c1)C(C(C)(C)C1C(C)=Cc3ccc(OC)cc31)C(C)=C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 3/20 0.32
ACHE P22303 2/20 0.32
CYP2A6 P11509 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL1454531 0.75 ACHE (0.37) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL1453797 0.75 HTR2A (0.37) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL1453536 0.73 TRPA1 (0.38) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL1453097 0.73 ALDH1A1 (0.32) ALDH1A1HSD17B10MAPTAPP
SCHEMBL4651925 0.73 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL1453589 0.69 CYP3A4 (0.35) CYP3A4
SCHEMBL1453726 0.63 PDK2 (0.34) PDK2
SCHEMBL10108856 0.62 NOS3 (0.47) MEN1KMT2ARAB9ACYP11B1CYP11B2
SCHEMBL10108826 0.62 NOS3 (0.44) MEN1KMT2ARAB9ACYP11B1CYP11B2
SCHEMBL8896192 0.61 MEN1 (0.52) ALDH1A1HPGDKDM4ECA12CA1

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO 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 2182/4885HPGD 4692/4885KDM4E 3402/4885

“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.