SCHEMBL8773546

SCHEMBL8773546

Cc1cc(C)c(P(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(P(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.[Pd]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.41
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
GRIN2D O15399 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
SCHEMBL31325570 1.00 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL301709 0.97 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
Iodide SCHEMBL9662368 0.94 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
Silver SCHEMBL31010581 0.94 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
Bromide SCHEMBL3679642 0.94 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL19058224 0.84 CYP1A2 (0.41) RAPGEF4ALDH1A1TSHRCYP1A2CYP2A6
SCHEMBL15077511 0.84 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL8585774 0.82 RAPGEF4 (0.33) RAPGEF4
SCHEMBL28373345 0.78 RAPGEF4 (0.42) RAPGEF4
SCHEMBL11785341 0.78 RAPGEF4 (0.43) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021499-B2 Bis(6-methyl-3-sulphophenyl)(2-methylphenyl)phosphine, ammonium salt thereof, and method for producing same KURARAY CO., LTD. (JP) 2021-06-01 US disclosed
US-10696701-B2 Bis(6-methyl-3-sulphophenyl)phenylphosphine, ammonium salt thereof, and method for producing same KURARAY CO., LTD. (JP) 2020-06-30 US disclosed
US-20190071460-A1 BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME HONDA ERIKO (JP) 2019-03-07 US disclosed
EP-2980093-B1 BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2019-01-09 EP disclosed
US-20180141967-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO., LTD. (JP) 2018-05-24 US disclosed
EP-2980055-B1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL KURARAY CO (JP) 2017-11-15 EP disclosed
EP-2980092-B1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2017-10-04 EP disclosed
US-9315433-B2 Method for producing 2,7-octadien-1-OL KURARAY CO., LTD. (JP) 2016-04-19 US disclosed
US-20160052948-A1 BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO., LTD. (JP) 2016-02-25 US disclosed
US-20160052947-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO., LTD. (JP) 2016-02-25 US disclosed
US-20160046549-A1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL KURARAY CO., LTD. (JP) 2016-02-18 US disclosed
EP-2980055-A1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL Kuraray Co., Ltd. (JP) 2016-02-03 EP disclosed
EP-2980093-A1 BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME Kuraray Co., Ltd. (JP) 2016-02-03 EP disclosed
EP-2980092-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME Kuraray Co., Ltd. (JP) 2016-02-03 EP disclosed
US-5696304-A REACTING CONJUGATED ALKADIENOL WITH WATER USING PALLADIUM CATALYST IN LOW BOILING REACTION SOLVENT, THEN DISTILLATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
EP-0605735-B1 PROCESS FOR PRODUCING ALKADIENOL MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5557016-A HYDROXYLATION OF CONJUGATED ALKADIENES IN THE PRESENCE OF PALLADIUM CATALYSIS MITSUBISHI KASEI CORPORATION (JP) 1996-09-17 US disclosed
EP-0605735-A1 PROCESS FOR PRODUCING ALKADIENOL Mitsubishi Chemical Corporation (JP) 1994-07-13 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 (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-20160046549-A1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL TELO2, TERT, PCNA RAPGEF4 4040/4885ALDH1A1 1376/4885KDM4E 1289/4885

“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.