SCHEMBL16018463

SCHEMBL16018463

Cc1ccccc1P(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
DRD1 P21728 2/20 0.42
ACHE P22303 3/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TOP1 P11387 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
SCHEMBL49858 0.95 CYP3A4 (0.52) CYP3A4TDP1DRD1ACHETSHR
Bromide SCHEMBL30317742 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
SCHEMBL3717033 0.93 CYP3A4 (0.57) CYP3A4TDP1DRD1ACHETSHR
Hydrochloric Acid SCHEMBL11571801 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
SCHEMBL31532278 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
SCHEMBL31531976 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
Hydrochloric Acid SCHEMBL31198728 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
Iodide SCHEMBL30903480 0.93 CYP3A4 (0.50) CYP3A4TDP1DRD1ACHETSHR
Iodide SCHEMBL31531977 0.91 CYP3A4 (0.48) CYP3A4TDP1DRD1ACHETSHR
SCHEMBL29535212 0.91 CYP3A4 (0.52) CYP3A4TDP1DRD1ACHETSHR

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-20150105571-A1 METHOD FOR CONVERTING CARBON DIOXIDE AND BICARBONATES INTO FORMIC ACID DERIVATIVES USING A COBALT COMPLEX AS A CATALYTIC SYSTEM BAYER TECHNOLOGY SERVICES GMBH (DE) 2015-04-16 US disclosed
US-20140255296-A1 METHOD FOR OBTAINING HYDROGEN BY CATALYTIC DECOMPOSITION OF FORMIC ACID BAYER TECHNOLOGY SERVICES GMBH (DE) 2014-09-11 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-20150105571-A1 METHOD FOR CONVERTING CARBON DIOXIDE AND BICARBONATES INTO FORMIC ACID DERIVATIVES USING A COBALT COMPLEX AS A CATALYTIC SYSTEM CA3, CA2, CA1 CYP3A4 356/4885TDP1 3664/4885DRD1 3613/4885

“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.