SCHEMBL14337804

SCHEMBL14337804

COc1c(C)cc(P(=O)(Br)c2cc(C)c(OC)c(C)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SRC P12931 1/20 0.32
CYP19A1 P11511 3/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NQO2 P16083 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
SCHEMBL6413134 0.82 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1ACHEKDM4E
SCHEMBL14337807 0.78 ALDH1A1 (0.38) ALDH1A1TAS1R3TAS1R1ACHEKDM4E
SCHEMBL11096420 0.78 ACHE (0.48) ALDH1A1ACHEKDM4ECYP3A4
SCHEMBL15105430 0.74 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1KDM4ECYP3A4
SCHEMBL14350594 0.74 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1ACHESRC
SCHEMBL6407920 0.70 ALDH1A1 (0.33) ALDH1A1TAS1R3TAS1R1
SCHEMBL9638799 0.69 ALDH1A1 (0.35) ALDH1A1TAS1R3TAS1R1ACHESRC
SCHEMBL14337805 0.69 TSHR (0.48) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL363341 0.69 KDM4E (0.45) ALDH1A1ACHEKDM4EPKMCA2
SCHEMBL10030804 0.68 ACHE (0.43) ALDH1A1ACHEKDM4ECYP19A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 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-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH ALDH1A1 277/4885TAS1R3 4681/4885TAS1R1 4522/4885

“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.