SCHEMBL301137

SCHEMBL301137

CC(C)Cc1cccc(P)c1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL2743774 0.84 GABRA1 (0.62) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL1457233 0.80 GABRA1 (0.52) GABRA1GABRB2SLC6A2TAAR1MAOA
Bromide SCHEMBL29193892 0.78 GABRA1 (0.50) GABRA1GABRB2SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL29193867 0.78 GABRA1 (0.50) GABRA1GABRB2SLC6A2TAAR1MAOA
Carbimide SCHEMBL28662233 0.77 GABRA1 (0.54) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL2399172 0.75 GABRA1 (0.52) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL2042941 0.75 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL258656 0.75 GABRA1 (0.63) GABRA1GABRB2ELANECTSG
SCHEMBL677035 0.75 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2
SCHEMBL2980083 0.75 GABRA1 (0.52) GABRA1GABRB2ELANECTSGSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
EP-0732336-B1 Process for the preparation of arylalkyl phosphines, arylalkyl phosphine oxides or arylalkyl phosphine sulfides CYTEC CANADA INC (CA) 2000-12-20 EP disclosed
EP-0732336-A1 Process for the preparation of arylalkyl phosphines, arylalkyl phosphine oxides or arylalkyl phosphine sulfides Cytec Canada Inc. (CA) 1996-09-18 EP disclosed
US-5550295-A Preparation of arylalkyl phosphines, phosphine oxides or phosphine sulfides CYTEC TECHNOLOGY CORP. (US) 1996-08-27 US disclosed
US-4668823-A ARYLDICHLOROPHOSPHINE, TWO GRIGNARDS UNION CARBIDE CORPORATION (US) 1987-05-26 US disclosed
US-4257973-A USING ORGANOPHOSPHORUS-PALLADIUM HALIDE COORDINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 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 (2 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 GABRA1 3769/4885GABRB2 3881/4885ELANE 2496/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH GABRA1 2980/4885GABRB2 3492/4885ELANE 1273/4885

“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.