SCHEMBL5589968

SCHEMBL5589968

[C-]#[N+]c1ccccc1.[C-]#[N+]c1ccccc1.[Pd]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA6 P23280 1/20 0.35
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 3/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 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
SCHEMBL244994 0.97
SCHEMBL1807521 0.93 CA4 (0.35) CA4CA9CA7CA14CA6
SCHEMBL3734578 0.93 CA4 (0.35) CA4CA9CA7CA14CA6
SCHEMBL1810851 0.93 CA4 (0.35) CA4CA9CA7CA14CA6
Hydrochloric Acid SCHEMBL1304764 0.93 CA4 (0.35) CA4CA9CA7CA14CA6
SCHEMBL31148860 0.93
Carbon Monoxide SCHEMBL9303760 0.85 CA4 (0.36) CA4CA9CA7CA14CA6
SCHEMBL5587901 0.85 ALDH1A1 (0.32) CA4CA9CA7CA14CA6
SCHEMBL5587697 0.85 IDO1 (0.33) CA4CA9CA7CA14CA6
SCHEMBL5589796 0.85 TSHR (0.32) CA4CA9CA7CA14CA6

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 35 patents — showing the first 20. 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-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
EP-2980055-B1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL KURARAY CO (JP) 2017-11-15 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-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-2980055-A1 METHOD FOR PRODUCING 2,7-OCTADIEN-1-OL Kuraray Co., Ltd. (JP) 2016-02-03 EP disclosed
EP-0361304-A2 Method for producing alkadienols Mitsubishi Chemical Corporation (JP) 1990-04-04 EP disclosed
EP-0062005-B1 PROCESS FOR THE MANUFACTURE OF STYRENE AND/OR STILBENE DERIVATIVES CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
EP-0104296-A1 Process for the preparation of stilbene-4,4'-dialdehyde CIBA-GEIGY AG (CH) 1984-04-04 EP disclosed
EP-0103544-A1 Method for the arylation of olefines with aryl chlorides catalysed by Pd CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
EP-0041043-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF ALKENYL BENZENE OR ALKENYL NAPHTHALENE CIBA-GEIGY AG (CH) 1983-11-09 EP disclosed
EP-0040177-B1 PROCESS FOR THE PREPARATION OF BENZENE OR NAPHTHALENE ALKENYL CARBOXYLIC ACID DERIVATIVES CIBA-GEIGY AG (CH) 1983-07-20 EP disclosed
EP-0078768-A1 Process for the catalytic Pd arylation of olefines with aryl halogenides CIBA-GEIGY AG (CH) 1983-05-11 EP disclosed
EP-0062005-A1 Process for the manufacture of styrene and/or stilbene derivatives CIBA-GEIGY AG (CH) 1982-10-06 EP disclosed
EP-0041043-A1 Process for the preparation of derivatives of alkenyl benzene or alkenyl naphthalene CIBA-GEIGY AG (CH) 1981-12-02 EP disclosed
EP-0040177-A1 Process for the preparation of benzene or naphthalene alkenyl carboxylic acid derivatives CIBA-GEIGY AG (CH) 1981-11-18 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 CA4 2046/4885CA9 3320/4885CA7 452/4885

“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.