SCHEMBL18796540

SCHEMBL18796540

CC(C)(C)P(c1ccccc1)C(C)(C)C.CC(C)(C)P(c1ccccc1)C(C)(C)C.Cl[Ni]Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL289857 0.90 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL31568007 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL14696690 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL31467528 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL18796532 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL3645144 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
Bromide SCHEMBL28700347 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL19093066 0.87 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL1743625 0.86 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1ALOX15TSHR
SCHEMBL1304876 0.86 CYP3A4 (0.38) CYP3A4TDP1ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213210-B Preparation method of decabromodiphenyl ethane 寿光卫东化工有限公司 2023-11-10 CN claimed
CN-114213210-A Preparation method of decabromodiphenylethane 寿光卫东化工有限公司 2022-03-22 CN claimed
US-20170197944-A1 PROCESS FOR THE PREPARATION OF LEDIPASVIR Optimus Drugs, LLC (IN) 2017-07-13 US claimed
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 WO claimed
CN-114213210-B Preparation method of decabromodiphenyl ethane 寿光卫东化工有限公司 2023-11-10 CN disclosed
CN-114213210-A Preparation method of decabromodiphenylethane 寿光卫东化工有限公司 2022-03-22 CN disclosed
US-10118912-B2 Process for the preparation of Ledipasvir OPTIMUS DRUGS PRIVATE LTD. (IN) 2018-11-06 US disclosed
US-20170197944-A1 PROCESS FOR THE PREPARATION OF LEDIPASVIR Optimus Drugs, LLC (IN) 2017-07-13 US disclosed
WO-2017072596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LEDIPASVIR OPTIMUS DRUGS (P) LTD (IN) 2017-05-04 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 (2 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-10118912-B2 Process for the preparation of Ledipasvir SAMHD1, POLI, PNP CYP3A4 43/4885TDP1 727/4885ALDH1A1 1979/4885
US-20170197944-A1 PROCESS FOR THE PREPARATION OF LEDIPASVIR SAMHD1, POLI, PNP CYP3A4 43/4885TDP1 727/4885ALDH1A1 1979/4885

“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.