SCHEMBL2993565

SCHEMBL2993565

CC1=C(C)C(C)(C)C([Ru](Cl)Cl)=C1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD1 P21728 2/20 0.38
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 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
SCHEMBL3008523 0.81 CTSD (0.31)
SCHEMBL18605788 0.75 CYP3A4 (0.44) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1304633 0.75 CYP3A4 (0.40) CYP3A4TDP1DRD1ESR1ESR2
Hydrochloric Acid SCHEMBL3662739 0.74 CYP3A4 (0.43) CYP3A4TDP1DRD1ESR1ESR2
Bromide SCHEMBL4318068 0.74 CYP3A4 (0.43) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL3408265 0.72 CYP3A4 (0.41) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL1258556 0.70 CYP3A4 (0.75) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL6886030 0.70 CYP3A4 (0.75) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL28390312 0.70 CYP3A4 (0.75) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL31539924 0.68 CYP3A4 (0.71) CYP3A4TDP1DRD1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
US-5700400-A Method for producing a semiconducting material NIPPON OIL CO., LTD. (JP) 1997-12-23 US disclosed
US-5620531-A Photovoltaic element NIPPON OIL CO., LTD. (JP) 1997-04-15 US disclosed
EP-0717451-A2 Photovoltaic element NIPPON OIL CO., LTD. (JP) 1996-06-19 EP disclosed
EP-0630933-A2 A method of producing a semiconducting material NIPPON OIL CO. LTD. (JP) 1994-12-28 EP 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-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 CYP3A4 27/4885TDP1 3383/4885DRD1 72/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 CYP3A4 16/4885TDP1 3755/4885DRD1 391/4885

“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.