SCHEMBL3685253

SCHEMBL3685253

CC(C)CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf](C)(C)(=[SiH2])C1C(CC(C)C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
ALOX5 P09917 1/20 0.30
PTPN1 P18031 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
Hydrochloric Acid SCHEMBL1120689 0.99 CNR2 (0.31) CNR2NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL818624 0.85 HTR7 (0.31)
Hydrochloric Acid SCHEMBL1120673 0.83 HTR7 (0.32) CNR2CNR1
SCHEMBL5890628 0.82 NPC1 (0.31) NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3697570 0.81 CNR1 (0.34) CNR2CNR1
SCHEMBL1583128 0.81 ALOX5 (0.39) CNR2NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7935519 0.81 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2ALOX5
SCHEMBL8204449 0.80 KDM4E (0.33) MAPTPTPN1
SCHEMBL3696397 0.80 PTPN1 (0.33) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL27476742 0.79 NPC1 (0.33) CNR2NPC1MAPTRAB9ASMN1; SMN2

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
EP-2114567-B1 IRON COMPLEXES AND THEIR USE IN POLYMERIZATION PROCESSES BASELL POLYOLEFINE GMBH (DE) 2015-04-15 EP disclosed
US-8227557-B2 Iron complexes and their use in polymerization processes BASELL POLYOLEFINE GMBH (DE) 2012-07-24 US disclosed
US-20100087607-A1 IRON COMPLEXES AND THEIR USE IN POLYMERIZATION PROCESSES BASELL POLYOLEFINE GMBH (DE) 2010-04-08 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-20100087607-A1 IRON COMPLEXES AND THEIR USE IN POLYMERIZATION PROCESSES PPOX, TFRC, FECH CNR2 3486/4885NPC1 3072/4885MAPT 2570/4885

“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.