SCHEMBL6935684

SCHEMBL6935684

CC(C)C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL6546611 0.84 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7730056 0.81 CYP2D6 (0.41) ESR1CYP2D6ALDH1A1NPSR1CYP1A2
SCHEMBL6440370 0.80 NFE2L2 (0.43) ESR1CYP2D6ALDH1A1NPSR1CYP2C9
SCHEMBL6436169 0.80 NFE2L2 (0.43) ESR1CYP2D6ALDH1A1NPSR1CYP2C9
SCHEMBL9806391 0.79 TRPA1 (0.55) CYP2D6ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL10591109 0.78 KDM1A (0.42) ESR1ESR2ALDH1A1NPSR1LMNA
Hydrogen Peroxide SCHEMBL9619642 0.78 KDM1A (0.42) ESR1ESR2ALDH1A1NPSR1LMNA
SCHEMBL7803264 0.78 KDM1A (0.42) ESR1ESR2ALDH1A1NPSR1LMNA
SCHEMBL3631547 0.78 KDM1A (0.42) ESR1ESR2ALDH1A1NPSR1LMNA
SCHEMBL28400526 0.78 ALDH1A1 (0.39) ESR1CYP2D6ALDH1A1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
EP-0203733-A2 Improvements in or relating to dielectric fluids WESTINGHOUSE ELECTRIC CORPORATION (US) 1986-12-03 EP disclosed
US-4623953-A ARENE COMOUNDS WITH ALKENYL SUBSTITUENT, MINERAL OIL DILUENT WESTINGHOUSE ELECTRIC CORP. (US) 1986-11-18 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 ESR1 3506/4885ESR2 2223/4885CYP2D6 309/4885

“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.