SCHEMBL14045901

SCHEMBL14045901

C=C(C)c1cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)[C@H](C)[C@@H](C)P(c2ccc(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TNFRSF1A P19438 2/20 0.31
WDR5 P61964 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
SCHEMBL14026086 0.77 PTGS2 (0.44) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL13705717 0.67 RXRA (0.50) ALDH1A1RARARARBRARGLMNA
SCHEMBL12585362 0.66 TNFRSF1A (0.34) ALDH1A1RARGTNFRSF1A
SCHEMBL14045908 0.66 TNFRSF1A (0.34) ALDH1A1RARGTNFRSF1A
SCHEMBL13889244 0.64 TNFRSF1A (0.37) RARARARBRARGTNFRSF1A
SCHEMBL13889330 0.64 TNFRSF1A (0.37) RARARARBRARGTNFRSF1A
SCHEMBL8302162 0.63 TNFRSF1A (0.47) RARARARBRARGTNFRSF1AWDR5
SCHEMBL8308995 0.62 TNFRSF1A (0.43) ALDH1A1GAARARARARBRARG
SCHEMBL4457970 0.61 PTGS2 (0.44) ALDH1A1RARGLMNATP53CYP3A4
SCHEMBL6248683 0.60 PTGS2 (0.45) ALDH1A1LMNATP53CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 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-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS ALDH1A1 899/4885GAA 1561/4885RARA 967/4885

“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.